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

C16H18ClNO3S2 — CID 90497128

IUPAC5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C16H18ClNO3S2/c1-11-4-7-13(17)9-14(11)23(20,21)18-10-16(19,12-5-6-12)15-3-2-8-22-15/h2-4,7-9,12,18-19H,5-6,10H2,1H3
InChIKeyLVXXMHHPFNRMAM-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.29
Rot. Bonds6

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

5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide (PubChem CID 90497128) has the molecular formula C16H18ClNO3S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
PubChem CID90497128
Molecular FormulaC16H18ClNO3S2
Molecular Weight371.91 g/mol
Exact Mass371.04
IUPAC Name5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C16H18ClNO3S2/c1-11-4-7-13(17)9-14(11)23(20,21)18-10-16(19,12-5-6-12)15-3-2-8-22-15/h2-4,7-9,12,18-19H,5-6,10H2,1H3
InChIKeyLVXXMHHPFNRMAM-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methoxybenzenesulfonamide
CID 71781761
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95982759
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
CID 90497139
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90497105
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
2-[[(5-chloro-2-methylphenyl)sulfonylamino]methyl]-2-ethylbutanoic acid
CID 115429946
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide (CID 90497128) is 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide is Cc1ccc(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-methylbenzenesulfonamide?
The InChIKey is LVXXMHHPFNRMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S2/c1-11-4-7-13(17)9-14(11)23(20,21)18-10-16(19,12-5-6-12)15-3-2-8-22-15/h2-4,7-9,12,18-19H,5-6,10H2,1H3.
What are the key properties of 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide?
5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide has a molecular weight of 371.91 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 90497128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).