N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide

C12H17ClN2O2S — CID 43708204

IUPACN-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC2CCCC2)c1
InChIInChI=1S/C12H17ClN2O2S/c1-18(16,17)15-10-6-7-11(13)12(8-10)14-9-4-2-3-5-9/h6-9,14-15H,2-5H2,1H3
InChIKeyZFESIAZWRXOMHX-UHFFFAOYSA-N
MW288.80 g/mol
LogP3.07
Rot. Bonds4

About N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide

N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide (PubChem CID 43708204) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
PubChem CID43708204
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC2CCCC2)c1
InChIInChI=1S/C12H17ClN2O2S/c1-18(16,17)15-10-6-7-11(13)12(8-10)14-9-4-2-3-5-9/h6-9,14-15H,2-5H2,1H3
InChIKeyZFESIAZWRXOMHX-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide
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N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
N-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)-4-chlorophenyl]methanesulfonamide
CID 105364063
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677
N-(3-chloro-4-cyclopropylphenyl)methanesulfonamide
CID 174269520
(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 81118445
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
CID 65070285
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide (CID 43708204) is N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)c(NC2CCCC2)c1.
What is the InChIKey of N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide?
The InChIKey is ZFESIAZWRXOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-18(16,17)15-10-6-7-11(13)12(8-10)14-9-4-2-3-5-9/h6-9,14-15H,2-5H2,1H3.
What are the key properties of N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide?
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43708204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).