4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide

C14H22N2O2S — CID 43454135

IUPAC4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(2)16-19(17,18)14-9-7-13(8-10-14)15-12-5-3-4-6-12/h7-12,15-16H,3-6H2,1-2H3
InChIKeyQCKUSTQJYYNYKV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.73
Rot. Bonds5

About 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide

4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 43454135) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID43454135
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-11(2)16-19(17,18)14-9-7-13(8-10-14)15-12-5-3-4-6-12/h7-12,15-16H,3-6H2,1-2H3
InChIKeyQCKUSTQJYYNYKV-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43454139
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
CID 78862058
4-(cyclohexylamino)benzenesulfonic acid
CID 141225645
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
cis-(1R,2S)-2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6978147
2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164862511
(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide
CID 95145385

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide (CID 43454135) is 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(NC2CCCC2)cc1.
What is the InChIKey of 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QCKUSTQJYYNYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)16-19(17,18)14-9-7-13(8-10-14)15-12-5-3-4-6-12/h7-12,15-16H,3-6H2,1-2H3.
What are the key properties of 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide?
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43454135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).