3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide

C14H16ClNO4S2 — CID 95983496

IUPAC3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@](C)(O)c2cccs2)cc1Cl
InChIInChI=1S/C14H16ClNO4S2/c1-14(17,13-4-3-7-21-13)9-16-22(18,19)10-5-6-12(20-2)11(15)8-10/h3-8,16-17H,9H2,1-2H3/t14-/m0/s1
InChIKeyQAWDYISJKWSDKG-AWEZNQCLSA-N
MW361.87 g/mol
LogP2.60
Rot. Bonds6

About 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide

3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide (PubChem CID 95983496) has the molecular formula C14H16ClNO4S2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
PubChem CID95983496
Molecular FormulaC14H16ClNO4S2
Molecular Weight361.87 g/mol
Exact Mass361.02
IUPAC Name3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@](C)(O)c2cccs2)cc1Cl
InChIInChI=1S/C14H16ClNO4S2/c1-14(17,13-4-3-7-21-13)9-16-22(18,19)10-5-6-12(20-2)11(15)8-10/h3-8,16-17H,9H2,1-2H3/t14-/m0/s1
InChIKeyQAWDYISJKWSDKG-AWEZNQCLSA-N
XLogP2.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbenzenesulfonamide
CID 90500244
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031
3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide
CID 103835335
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 126852183
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 71782466
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 97355211
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
CID 71781761
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide (CID 95983496) is 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@](C)(O)c2cccs2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide?
The InChIKey is QAWDYISJKWSDKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16ClNO4S2/c1-14(17,13-4-3-7-21-13)9-16-22(18,19)10-5-6-12(20-2)11(15)8-10/h3-8,16-17H,9H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide has a molecular weight of 361.87 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 95983496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).