2-(2-chlorophenyl)sulfonylbutan-1-amine

C10H14ClNO2S — CID 64699189

IUPAC2-(2-chlorophenyl)sulfonylbutan-1-amine
SMILESCCC(CN)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-2-8(7-12)15(13,14)10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3
InChIKeySGRUZTBERWILBR-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-chlorophenyl)sulfonylbutan-1-amine

2-(2-chlorophenyl)sulfonylbutan-1-amine (PubChem CID 64699189) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonylbutan-1-amine
PubChem CID64699189
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name2-(2-chlorophenyl)sulfonylbutan-1-amine
SMILESCCC(CN)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H14ClNO2S/c1-2-8(7-12)15(13,14)10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3
InChIKeySGRUZTBERWILBR-UHFFFAOYSA-N
XLogP1.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)sulfonylbutan-1-amine
CID 64698684
3-(2-chlorophenyl)sulfonylheptan-4-amine
CID 64638212
3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
CID 21284138
2,3-diamino-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 70070623
1-(2-chlorophenyl)sulfonylpropyl benzoate
CID 174700729
N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
CID 104556414
2-(3-methylphenyl)sulfonylbutan-1-amine
CID 64696626
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine
CID 106512617
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonylbutan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfonylbutan-1-amine (CID 64699189) is 2-(2-chlorophenyl)sulfonylbutan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonylbutan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfonylbutan-1-amine is CCC(CN)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfonylbutan-1-amine?
The InChIKey is SGRUZTBERWILBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-2-8(7-12)15(13,14)10-6-4-3-5-9(10)11/h3-6,8H,2,7,12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfonylbutan-1-amine?
2-(2-chlorophenyl)sulfonylbutan-1-amine has a molecular weight of 247.75 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonylbutan-1-amine is sourced from PubChem (CID 64699189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).