5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide

C14H16ClNO3S2 — CID 121132222

IUPAC5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C14H16ClNO3S2/c1-10-2-3-12(15)8-14(10)21(18,19)16-6-4-13(17)11-5-7-20-9-11/h2-3,5,7-9,13,16-17H,4,6H2,1H3
InChIKeyCFOVJCJNFGLYKM-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.11
Rot. Bonds6

About 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide

5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide (PubChem CID 121132222) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
PubChem CID121132222
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C14H16ClNO3S2/c1-10-2-3-12(15)8-14(10)21(18,19)16-6-4-13(17)11-5-7-20-9-11/h2-3,5,7-9,13,16-17H,4,6H2,1H3
InChIKeyCFOVJCJNFGLYKM-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
CID 99981347
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 121132245
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932884
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 75477657
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide (CID 121132222) is 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCCC(O)c1ccsc1.
What is the InChIKey of 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is CFOVJCJNFGLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-10-2-3-12(15)8-14(10)21(18,19)16-6-4-13(17)11-5-7-20-9-11/h2-3,5,7-9,13,16-17H,4,6H2,1H3.
What are the key properties of 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide?
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 121132222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).