3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride

C12H16ClNO4S2 — CID 43371192

IUPAC3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H16ClNO4S2/c13-19(15,16)11-6-3-7-12(8-11)20(17,18)14-9-10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2
InChIKeyKGHINKVTSRPRMP-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.08
Rot. Bonds5

About 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride

3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride (PubChem CID 43371192) has the molecular formula C12H16ClNO4S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
PubChem CID43371192
Molecular FormulaC12H16ClNO4S2
Molecular Weight337.85 g/mol
Exact Mass337.02
IUPAC Name3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H16ClNO4S2/c13-19(15,16)11-6-3-7-12(8-11)20(17,18)14-9-10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2
InChIKeyKGHINKVTSRPRMP-UHFFFAOYSA-N
XLogP2.08
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride (CID 43371192) is 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(S(=O)(=O)NCC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is KGHINKVTSRPRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S2/c13-19(15,16)11-6-3-7-12(8-11)20(17,18)14-9-10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2.
What are the key properties of 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride?
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 337.85 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 43371192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).