4-[(butanoylamino)methyl]benzenesulfonyl chloride

C11H14ClNO3S — CID 24688623

IUPAC4-[(butanoylamino)methyl]benzenesulfonyl chloride
SMILESCCCC(=O)NCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-3-11(14)13-8-9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKeyGDVJSHONWUUMTE-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.03
Rot. Bonds5

About 4-[(butanoylamino)methyl]benzenesulfonyl chloride

4-[(butanoylamino)methyl]benzenesulfonyl chloride (PubChem CID 24688623) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-[(butanoylamino)methyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(butanoylamino)methyl]benzenesulfonyl chloride
PubChem CID24688623
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name4-[(butanoylamino)methyl]benzenesulfonyl chloride
SMILESCCCC(=O)NCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H14ClNO3S/c1-2-3-11(14)13-8-9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKeyGDVJSHONWUUMTE-UHFFFAOYSA-N
XLogP2.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
CID 43094957
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
4-[3-(hexanoylamino)propyl]benzenesulfonyl chloride
CID 60906285
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784514
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325

Frequently Asked Questions

What is the IUPAC name of 4-[(butanoylamino)methyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(butanoylamino)methyl]benzenesulfonyl chloride (CID 24688623) is 4-[(butanoylamino)methyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(butanoylamino)methyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(butanoylamino)methyl]benzenesulfonyl chloride is CCCC(=O)NCc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(butanoylamino)methyl]benzenesulfonyl chloride?
The InChIKey is GDVJSHONWUUMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-2-3-11(14)13-8-9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14).
What are the key properties of 4-[(butanoylamino)methyl]benzenesulfonyl chloride?
4-[(butanoylamino)methyl]benzenesulfonyl chloride has a molecular weight of 275.76 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(butanoylamino)methyl]benzenesulfonyl chloride is sourced from PubChem (CID 24688623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).