N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide

C15H21ClN4O3S — CID 97444490

IUPACN-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
SMILESCOCCc1nc([C@H](C)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H21ClN4O3S/c1-11(19-24(3,21)22)15-17-14(8-9-23-2)18-20(15)10-12-4-6-13(16)7-5-12/h4-7,11,19H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyBUCYXMXWDDLWIE-NSHDSACASA-N
MW372.88 g/mol
LogP1.78
Rot. Bonds8

About N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide

N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide (PubChem CID 97444490) has the molecular formula C15H21ClN4O3S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
PubChem CID97444490
Molecular FormulaC15H21ClN4O3S
Molecular Weight372.88 g/mol
Exact Mass372.10
IUPAC NameN-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
SMILESCOCCc1nc([C@H](C)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H21ClN4O3S/c1-11(19-24(3,21)22)15-17-14(8-9-23-2)18-20(15)10-12-4-6-13(16)7-5-12/h4-7,11,19H,8-10H2,1-3H3/t11-/m0/s1
InChIKeyBUCYXMXWDDLWIE-NSHDSACASA-N
XLogP1.78
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 97445327
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22201773
4-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2,4-triazole
CID 58259865
1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 46971770
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
4,6-dichloro-5-(4-chlorophenyl)-2-(2-methoxyethyl)pyrimidine
CID 79438112
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methoxyethanesulfonamide
CID 95762229
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
1-[(4-chlorophenyl)methyl]-5-propan-2-ylpyrazole-3-carboxylic acid
CID 95482965

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide (CID 97444490) is N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide is COCCc1nc([C@H](C)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The InChIKey is BUCYXMXWDDLWIE-NSHDSACASA-N. The full InChI is InChI=1S/C15H21ClN4O3S/c1-11(19-24(3,21)22)15-17-14(8-9-23-2)18-20(15)10-12-4-6-13(16)7-5-12/h4-7,11,19H,8-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide has a molecular weight of 372.88 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 97444490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).