N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide

C11H16ClNO2S — CID 47142063

IUPACN-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-4-9(3)13-16(14,15)11-6-5-8(2)7-10(11)12/h5-7,9,13H,4H2,1-3H3
InChIKeyPCLNTTGQXVWPLG-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.73
Rot. Bonds4

About N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide

N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide (PubChem CID 47142063) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
PubChem CID47142063
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-4-9(3)13-16(14,15)11-6-5-8(2)7-10(11)12/h5-7,9,13H,4H2,1-3H3
InChIKeyPCLNTTGQXVWPLG-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
CID 45100351
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
CID 80998367
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide (CID 47142063) is N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(C)cc1Cl.
What is the InChIKey of N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is PCLNTTGQXVWPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-4-9(3)13-16(14,15)11-6-5-8(2)7-10(11)12/h5-7,9,13H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide?
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 47142063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).