3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide

C14H18ClNO3S2 — CID 141094629

IUPAC3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC(C)O)S(=O)(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H18ClNO3S2/c1-3-8-16(9-10(2)17)21(18,19)14-13(15)11-6-4-5-7-12(11)20-14/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyNBXHQEGWQONWKJ-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.34
Rot. Bonds6

About 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide

3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide (PubChem CID 141094629) has the molecular formula C14H18ClNO3S2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide
PubChem CID141094629
Molecular FormulaC14H18ClNO3S2
Molecular Weight347.89 g/mol
Exact Mass347.04
IUPAC Name3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide
SMILESCCCN(CC(C)O)S(=O)(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H18ClNO3S2/c1-3-8-16(9-10(2)17)21(18,19)14-13(15)11-6-4-5-7-12(11)20-14/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyNBXHQEGWQONWKJ-UHFFFAOYSA-N
XLogP3.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713277
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
N-[(2S)-2-hydroxypropyl]-3-methyl-N-propyl-5-(trifluoromethyl)-1-benzothiophene-2-sulfonamide
CID 58713403
N-(2-bromobutyl)-5-chloro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713396
4-[(3-chloro-1-benzothiophen-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60834123
3-chloro-N-[(E)-pentan-2-ylideneamino]-1-benzothiophene-2-carboxamide
CID 19685326
3-chloro-N-[(Z)-hexan-2-ylideneamino]-1-benzothiophene-2-carboxamide
CID 6008043
[3-(dimethylsulfamoyl)phenyl]methyl 3-chloro-1-benzothiophene-2-carboxylate
CID 2128174
3-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propan-2-yloxy]-2-methoxyphenyl]propanoic acid
CID 58713040
ethyl 2-[4-[(2R)-1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]propan-2-yl]sulfanyl-2-methylphenoxy]acetate
CID 58713207
1-[(3-chloro-1-benzothiophen-2-yl)methylamino]-3-methylbutan-2-ol
CID 113237031
3-chloro-N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 115700960

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide (CID 141094629) is 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide is CCCN(CC(C)O)S(=O)(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide?
The InChIKey is NBXHQEGWQONWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S2/c1-3-8-16(9-10(2)17)21(18,19)14-13(15)11-6-4-5-7-12(11)20-14/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide?
3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide has a molecular weight of 347.89 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxypropyl)-N-propyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 141094629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).