4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide

C21H26ClNO3S — CID 11976887

IUPAC4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(Cc2cccc(CCO)c2)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO3S/c22-19-6-8-20(9-7-19)27(25,26)23-16-21(11-1-2-12-21)15-18-5-3-4-17(14-18)10-13-24/h3-9,14,23-24H,1-2,10-13,15-16H2
InChIKeyGQQAZVQVVQBBPI-UHFFFAOYSA-N
MW407.96 g/mol
LogP3.96
Rot. Bonds8

About 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide

4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide (PubChem CID 11976887) has the molecular formula C21H26ClNO3S and a molecular weight of 407.96 g/mol. Its IUPAC name is 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
PubChem CID11976887
Molecular FormulaC21H26ClNO3S
Molecular Weight407.96 g/mol
Exact Mass407.13
IUPAC Name4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(Cc2cccc(CCO)c2)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO3S/c22-19-6-8-20(9-7-19)27(25,26)23-16-21(11-1-2-12-21)15-18-5-3-4-17(14-18)10-13-24/h3-9,14,23-24H,1-2,10-13,15-16H2
InChIKeyGQQAZVQVVQBBPI-UHFFFAOYSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.96
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide;3-chloro-N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide
CID 159372303
acetic acid;4-chloro-N-[[1-[(4-ethylphenyl)methyl]cyclopentyl]methyl]benzenesulfonamide
CID 162054654
N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11976935
N-[[1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]furan-2-sulfonamide
CID 18999495
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114758607
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368
2-[1-[[(3-chlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81163930
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide (CID 11976887) is 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide is O=S(=O)(NCC1(Cc2cccc(CCO)c2)CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
The InChIKey is GQQAZVQVVQBBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3S/c22-19-6-8-20(9-7-19)27(25,26)23-16-21(11-1-2-12-21)15-18-5-3-4-17(14-18)10-13-24/h3-9,14,23-24H,1-2,10-13,15-16H2.
What are the key properties of 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide?
4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide has a molecular weight of 407.96 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[[3-(2-hydroxyethyl)phenyl]methyl]cyclopentyl]methyl]benzenesulfonamide is sourced from PubChem (CID 11976887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).