5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide

C14H23ClN2O3S — CID 82879383

IUPAC5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(Cl)cc(CNC(C)C)c1C
InChIInChI=1S/C14H23ClN2O3S/c1-10(2)16-9-12-7-13(15)8-14(11(12)3)21(18,19)17-5-6-20-4/h7-8,10,16-17H,5-6,9H2,1-4H3
InChIKeyYBTDMMJTILPDPA-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.07
Rot. Bonds8

About 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide

5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 82879383) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID82879383
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(Cl)cc(CNC(C)C)c1C
InChIInChI=1S/C14H23ClN2O3S/c1-10(2)16-9-12-7-13(15)8-14(11(12)3)21(18,19)17-5-6-20-4/h7-8,10,16-17H,5-6,9H2,1-4H3
InChIKeyYBTDMMJTILPDPA-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-cyclobutyl-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879050
5-chloro-N,2-dimethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879348
5-chloro-2-methyl-3-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 82885171
5-chloro-2-methoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 110758467
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
3-(aminomethyl)-5-chloro-N-(2-ethoxyethyl)-2-methylbenzenesulfonamide
CID 106020144
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746
3-(aminomethyl)-N-(2-butoxyethyl)-5-chloro-2-methylbenzenesulfonamide
CID 106017638
5-chloro-2-methoxy-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074909
5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 82878621
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 82879383) is 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide is COCCNS(=O)(=O)c1cc(Cl)cc(CNC(C)C)c1C.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is YBTDMMJTILPDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-10(2)16-9-12-7-13(15)8-14(11(12)3)21(18,19)17-5-6-20-4/h7-8,10,16-17H,5-6,9H2,1-4H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 82879383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).