3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide

C15H18ClNO4S2 — CID 126852183

IUPAC3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(O)Cc2ccsc2)cc1Cl
InChIInChI=1S/C15H18ClNO4S2/c1-15(18,8-11-5-6-22-9-11)10-17-23(19,20)12-3-4-14(21-2)13(16)7-12/h3-7,9,17-18H,8,10H2,1-2H3
InChIKeyUXRMTUOZWUHTFH-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.68
Rot. Bonds7

About 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide

3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide (PubChem CID 126852183) has the molecular formula C15H18ClNO4S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
PubChem CID126852183
Molecular FormulaC15H18ClNO4S2
Molecular Weight375.90 g/mol
Exact Mass375.04
IUPAC Name3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(O)Cc2ccsc2)cc1Cl
InChIInChI=1S/C15H18ClNO4S2/c1-15(18,8-11-5-6-22-9-11)10-17-23(19,20)12-3-4-14(21-2)13(16)7-12/h3-7,9,17-18H,8,10H2,1-2H3
InChIKeyUXRMTUOZWUHTFH-UHFFFAOYSA-N
XLogP2.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide
CID 103835335
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-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide
CID 126854085
3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
CID 122160833
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide (CID 126852183) is 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(O)Cc2ccsc2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
The InChIKey is UXRMTUOZWUHTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4S2/c1-15(18,8-11-5-6-22-9-11)10-17-23(19,20)12-3-4-14(21-2)13(16)7-12/h3-7,9,17-18H,8,10H2,1-2H3.
What are the key properties of 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide has a molecular weight of 375.90 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 126852183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).