3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide

C19H18ClNO3S2 — CID 122244303

IUPAC3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H18ClNO3S2/c1-13-17(20)3-2-4-19(13)26(23,24)21-11-18(22)15-7-5-14(6-8-15)16-9-10-25-12-16/h2-10,12,18,21-22H,11H2,1H3
InChIKeyDAHMTLAHNIWKJL-UHFFFAOYSA-N
MW407.94 g/mol
LogP4.39
Rot. Bonds6

About 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide

3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 122244303) has the molecular formula C19H18ClNO3S2 and a molecular weight of 407.94 g/mol. Its IUPAC name is 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID122244303
Molecular FormulaC19H18ClNO3S2
Molecular Weight407.94 g/mol
Exact Mass407.04
IUPAC Name3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H18ClNO3S2/c1-13-17(20)3-2-4-19(13)26(23,24)21-11-18(22)15-7-5-14(6-8-15)16-9-10-25-12-16/h2-10,12,18,21-22H,11H2,1H3
InChIKeyDAHMTLAHNIWKJL-UHFFFAOYSA-N
XLogP4.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 95368266
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
3-chloro-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 90582403
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 75477657
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
3-chloro-N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-methylbenzenesulfonamide
CID 97414090
2,4-dichloro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 122244261
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
ethyl (2R)-3-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 97028994

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide (CID 122244303) is 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC(O)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is DAHMTLAHNIWKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S2/c1-13-17(20)3-2-4-19(13)26(23,24)21-11-18(22)15-7-5-14(6-8-15)16-9-10-25-12-16/h2-10,12,18,21-22H,11H2,1H3.
What are the key properties of 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 407.94 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 122244303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).