3-chloro-N-(cyclopentylmethyl)benzenesulfonamide

C12H16ClNO2S — CID 43066015

IUPAC3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2S/c13-11-6-3-7-12(8-11)17(15,16)14-9-10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2
InChIKeyRWYFJLJTGPMPPF-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.81
Rot. Bonds4

About 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide

3-chloro-N-(cyclopentylmethyl)benzenesulfonamide (PubChem CID 43066015) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
PubChem CID43066015
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2S/c13-11-6-3-7-12(8-11)17(15,16)14-9-10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2
InChIKeyRWYFJLJTGPMPPF-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110719965
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
CID 75469633
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide (CID 43066015) is 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The InChIKey is RWYFJLJTGPMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-11-6-3-7-12(8-11)17(15,16)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-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide has a molecular weight of 273.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopentylmethyl)benzenesulfonamide is sourced from PubChem (CID 43066015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).