1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide

C11H16ClNO3S — CID 111977012

IUPAC1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
SMILESCC(O)CCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-9(14)6-7-13-17(15,16)8-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8H2,1H3
InChIKeyMVKXRGBBPUZHMT-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.53
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide

1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide (PubChem CID 111977012) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
PubChem CID111977012
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
SMILESCC(O)CCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-9(14)6-7-13-17(15,16)8-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8H2,1H3
InChIKeyMVKXRGBBPUZHMT-UHFFFAOYSA-N
XLogP1.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014801
1-(2-chlorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014800
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
1-(2-chlorophenyl)-N-pentan-2-ylmethanesulfonamide
CID 17257591
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
1-(2-chlorophenyl)-N-(6-methylheptan-2-yl)methanesulfonamide
CID 3647642
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-chlorophenyl)methanesulfonamide
CID 110717938

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide (CID 111977012) is 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide is CC(O)CCNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide?
The InChIKey is MVKXRGBBPUZHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-9(14)6-7-13-17(15,16)8-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide is sourced from PubChem (CID 111977012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).