N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide

C10H14ClNO2S — CID 965240

IUPACN-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-3-8(2)12-15(13,14)10-6-4-9(11)5-7-10/h4-8,12H,3H2,1-2H3/t8-/m0/s1
InChIKeyMQKHLMFKDTUBSK-QMMMGPOBSA-N
MW247.75 g/mol
LogP2.42
Rot. Bonds4

About N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide

N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide (PubChem CID 965240) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
PubChem CID965240
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-3-8(2)12-15(13,14)10-6-4-9(11)5-7-10/h4-8,12H,3H2,1-2H3/t8-/m0/s1
InChIKeyMQKHLMFKDTUBSK-QMMMGPOBSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
4-chloro-N-pent-4-yn-2-ylbenzenesulfonamide
CID 115662676
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
N-butan-2-yl-4-chloro-2-nitrobenzenesulfonamide
CID 42949762
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide (CID 965240) is N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide is CC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide?
The InChIKey is MQKHLMFKDTUBSK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-8(2)12-15(13,14)10-6-4-9(11)5-7-10/h4-8,12H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide?
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 965240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).