5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide

C16H18ClNO4S2 — CID 71781761

IUPAC5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C16H18ClNO4S2/c1-22-13-7-6-12(17)9-14(13)24(20,21)18-10-16(19,11-4-5-11)15-3-2-8-23-15/h2-3,6-9,11,18-19H,4-5,10H2,1H3
InChIKeyMBZJBCGIPRTLAH-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.99
Rot. Bonds7

About 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide

5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide (PubChem CID 71781761) has the molecular formula C16H18ClNO4S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
PubChem CID71781761
Molecular FormulaC16H18ClNO4S2
Molecular Weight387.91 g/mol
Exact Mass387.04
IUPAC Name5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C16H18ClNO4S2/c1-22-13-7-6-12(17)9-14(13)24(20,21)18-10-16(19,11-4-5-11)15-3-2-8-23-15/h2-3,6-9,11,18-19H,4-5,10H2,1H3
InChIKeyMBZJBCGIPRTLAH-UHFFFAOYSA-N
XLogP2.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
CID 90497128
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95982759
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 99873672
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
3-chloro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methoxybenzenesulfonamide
CID 95983496
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
CID 90497139
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787116
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-ethyl-2-methoxybenzenesulfonamide
CID 121085545
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
CID 90497186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide (CID 71781761) is 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide?
The InChIKey is MBZJBCGIPRTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S2/c1-22-13-7-6-12(17)9-14(13)24(20,21)18-10-16(19,11-4-5-11)15-3-2-8-23-15/h2-3,6-9,11,18-19H,4-5,10H2,1H3.
What are the key properties of 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide has a molecular weight of 387.91 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71781761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).