2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide

C17H18ClNO3S — CID 71788806

IUPAC2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO3S/c18-15-8-4-5-9-16(15)23(21,22)19-12-17(20,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2
InChIKeyJBHDWBTVDNHKRW-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.92
Rot. Bonds6

About 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide

2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide (PubChem CID 71788806) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
PubChem CID71788806
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO3S/c18-15-8-4-5-9-16(15)23(21,22)19-12-17(20,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2
InChIKeyJBHDWBTVDNHKRW-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide (CID 71788806) is 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The InChIKey is JBHDWBTVDNHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c18-15-8-4-5-9-16(15)23(21,22)19-12-17(20,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2.
What are the key properties of 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 71788806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).