4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide

C18H20ClNO3S — CID 69466447

IUPAC4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c19-14-8-10-15(11-9-14)24(22,23)20-12-17(13-4-3-5-13)16-6-1-2-7-18(16)21/h1-2,6-11,13,17,20-21H,3-5,12H2
InChIKeyKANHZOXQNMQRKP-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.91
Rot. Bonds6

About 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide

4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 69466447) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID69466447
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c19-14-8-10-15(11-9-14)24(22,23)20-12-17(13-4-3-5-13)16-6-1-2-7-18(16)21/h1-2,6-11,13,17,20-21H,3-5,12H2
InChIKeyKANHZOXQNMQRKP-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide (CID 69466447) is 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccccc1O)C1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is KANHZOXQNMQRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-14-8-10-15(11-9-14)24(22,23)20-12-17(13-4-3-5-13)16-6-1-2-7-18(16)21/h1-2,6-11,13,17,20-21H,3-5,12H2.
What are the key properties of 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 365.88 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 69466447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).