5-(cyclopentylamino)-2-methylbenzenesulfonamide

C12H18N2O2S — CID 28653417

IUPAC5-(cyclopentylamino)-2-methylbenzenesulfonamide
SMILESCc1ccc(NC2CCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-9-6-7-11(8-12(9)17(13,15)16)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H2,13,15,16)
InChIKeyZMJZSCPEAUPUEX-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.00
Rot. Bonds3

About 5-(cyclopentylamino)-2-methylbenzenesulfonamide

5-(cyclopentylamino)-2-methylbenzenesulfonamide (PubChem CID 28653417) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-(cyclopentylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(cyclopentylamino)-2-methylbenzenesulfonamide
PubChem CID28653417
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name5-(cyclopentylamino)-2-methylbenzenesulfonamide
SMILESCc1ccc(NC2CCCC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-9-6-7-11(8-12(9)17(13,15)16)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H2,13,15,16)
InChIKeyZMJZSCPEAUPUEX-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
CID 43717499
2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
CID 79724380
2-methyl-5-[(1-prop-2-ynylpiperidin-4-yl)amino]benzenesulfonamide
CID 43767957
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
CID 64823639
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
CID 79908582
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(cyclopentylamino)-2-methylbenzenesulfonamide (CID 28653417) is 5-(cyclopentylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(cyclopentylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(cyclopentylamino)-2-methylbenzenesulfonamide is Cc1ccc(NC2CCCC2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(cyclopentylamino)-2-methylbenzenesulfonamide?
The InChIKey is ZMJZSCPEAUPUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-6-7-11(8-12(9)17(13,15)16)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H2,13,15,16).
What are the key properties of 5-(cyclopentylamino)-2-methylbenzenesulfonamide?
5-(cyclopentylamino)-2-methylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 28653417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).