1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide

C112H141Cl2N15O20S6 — CID 157303805

About 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide

1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide (PubChem CID 157303805) has the molecular formula C112H141Cl2N15O20S6 and a molecular weight of 2280.75 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide.

Molecular Properties

• Compound Name: 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide
• PubChem CID: 157303805
• Molecular Formula: C112H141Cl2N15O20S6
• Molecular Weight: 2280.75 g/mol
• Exact Mass: 2277.82
• IUPAC Name: 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide
• SMILES: CCOC(=O)Nc1cccc(C)c1.CCS(=O)(=O)NCCOc1ccc(C)cc1.CCn1c(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(C#N)c2ccc(OC)cc21.CNS(=O)(=O)c1ccc(C)cc1.Cc1ccc(NS(=O)(=O)C2CC2)cc1.Cc1ccc(NS(=O)(=O)CCCCl)cc1.Cc1ccc(NS(=O)(=O)CCl)cc1.Cc1ccc(OCCN2CC[C@H](O)C2)cc1.Cc1ccc(OCCN=[N+]=[N-])cc1.Cc1ccc(S(N)(=O)=O)cc1
• InChI: InChI=1S/C26H24N4O2.C13H19NO2.C11H17NO3S.C10H14ClNO2S.C10H13NO2S.C10H13NO2.C9H11N3O.C8H10ClNO2S.C8H11NO2S.C7H9NO2S/c1-4-30-24-15-21(32-3)11-12-22(24)23(16-27)25(30)18-8-6-10-20(14-18)29-26(31)28-19-9-5-7-17(2)13-19;1-11-2-4-13(5-3-11)16-9-8-14-7-6-12(15)10-14;1-3-16(13,14)12-8-9-15-11-6-4-10(2)5-7-11;1-9-3-5-10(6-4-9)12-15(13,14)8-2-7-11;1-8-2-4-9(5-3-8)11-14(12,13)10-6-7-10;1-3-13-10(12)11-9-6-4-5-8(2)7-9;1-8-2-4-9(5-3-8)13-7-6-11-12-10;1-7-2-4-8(5-3-7)10-13(11,12)6-9;1-7-3-5-8(6-4-7)12(10,11)9-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-15H,4H2,1-3H3,(H2,28,29,31);2-5,12,15H,6-10H2,1H3;4-7,12H,3,8-9H2,1-2H3;3-6,12H,2,7-8H2,1H3;2-5,10-11H,6-7H2,1H3;4-7H,3H2,1-2H3,(H,11,12);2-5H,6-7H2,1H3;2-5,10H,6H2,1H3;3-6,9H,1-2H3;2-5H,1H3,(H2,8,9,10)/t;12-;;;;;;;;/m.0......../s1
• InChIKey: BCFCPLXREAONDP-CGTOXLFCSA-N
• XLogP: 21.91
• TPSA: 508.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2280.75
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide?

The IUPAC name of 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide (CID 157303805) is 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide.

What is the SMILES notation for 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide?

The canonical SMILES for 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide is CCOC(=O)Nc1cccc(C)c1.CCS(=O)(=O)NCCOc1ccc(C)cc1.CCn1c(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)c(C#N)c2ccc(OC)cc21.CNS(=O)(=O)c1ccc(C)cc1.Cc1ccc(NS(=O)(=O)C2CC2)cc1.Cc1ccc(NS(=O)(=O)CCCCl)cc1.Cc1ccc(NS(=O)(=O)CCl)cc1.Cc1ccc(OCCN2CC[C@H](O)C2)cc1.Cc1ccc(OCCN=[N+]=[N-])cc1.Cc1ccc(S(N)(=O)=O)cc1.

What is the InChIKey of 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide?

The InChIKey is BCFCPLXREAONDP-CGTOXLFCSA-N. The full InChI is InChI=1S/C26H24N4O2.C13H19NO2.C11H17NO3S.C10H14ClNO2S.C10H13NO2S.C10H13NO2.C9H11N3O.C8H10ClNO2S.C8H11NO2S.C7H9NO2S/c1-4-30-24-15-21(32-3)11-12-22(24)23(16-27)25(30)18-8-6-10-20(14-18)29-26(31)28-19-9-5-7-17(2)13-19;1-11-2-4-13(5-3-11)16-9-8-14-7-6-12(15)10-14;1-3-16(13,14)12-8-9-15-11-6-4-10(2)5-7-11;1-9-3-5-10(6-4-9)12-15(13,14)8-2-7-11;1-8-2-4-9(5-3-8)11-14(12,13)10-6-7-10;1-3-13-10(12)11-9-6-4-5-8(2)7-9;1-8-2-4-9(5-3-8)13-7-6-11-12-10;1-7-2-4-8(5-3-7)10-13(11,12)6-9;1-7-3-5-8(6-4-7)12(10,11)9-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-15H,4H2,1-3H3,(H2,28,29,31);2-5,12,15H,6-10H2,1H3;4-7,12H,3,8-9H2,1-2H3;3-6,12H,2,7-8H2,1H3;2-5,10-11H,6-7H2,1H3;4-7H,3H2,1-2H3,(H,11,12);2-5H,6-7H2,1H3;2-5,10H,6H2,1H3;3-6,9H,1-2H3;2-5H,1H3,(H2,8,9,10)/t;12-;;;;;;;;/m.0......../s1.

What are the key properties of 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide?

1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide has a molecular weight of 2280.75 g/mol, XLogP of 21.91, 35 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-azidoethoxy)-4-methylbenzene;1-chloro-N-(4-methylphenyl)methanesulfonamide;3-chloro-N-(4-methylphenyl)propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(3-methylphenyl)urea;N,4-dimethylbenzenesulfonamide;ethyl N-(3-methylphenyl)carbamate;4-methylbenzenesulfonamide;N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide;(3S)-1-[2-(4-methylphenoxy)ethyl]pyrrolidin-3-ol;N-(4-methylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 157303805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).