N-cyclopentyl-3,4-dimethylbenzenesulfonamide

C13H19NO2S — CID 2442814

IUPACN-cyclopentyl-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2)cc1C
InChIInChI=1S/C13H19NO2S/c1-10-7-8-13(9-11(10)2)17(15,16)14-12-5-3-4-6-12/h7-9,12,14H,3-6H2,1-2H3
InChIKeyXDTGQZFNVJFFDI-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.52
Rot. Bonds3

About N-cyclopentyl-3,4-dimethylbenzenesulfonamide

N-cyclopentyl-3,4-dimethylbenzenesulfonamide (PubChem CID 2442814) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclopentyl-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3,4-dimethylbenzenesulfonamide
PubChem CID2442814
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-cyclopentyl-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCC2)cc1C
InChIInChI=1S/C13H19NO2S/c1-10-7-8-13(9-11(10)2)17(15,16)14-12-5-3-4-6-12/h7-9,12,14H,3-6H2,1-2H3
InChIKeyXDTGQZFNVJFFDI-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Ethyl-p-toluenesulfonamide
CID 6637
N-Butyl-p-toluenesulfonamide
CID 61285
N-cyclopropyl-4-methylbenzene-1-sulfonamide
CID 4190095
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
2-amino-2,3-dihydro-1H-indene-5-sulfonamide
CID 20347846
2-Amino-indan-5-sulfonic acid
CID 44395769
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
3-methyl-N-phenethylbenzenesulfonamide
CID 890664
Cyclopentyl{[4-(methylethyl)phenyl]sulfonyl}amine
CID 6469335
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-3,4-dimethylbenzenesulfonamide (CID 2442814) is N-cyclopentyl-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCC2)cc1C.
What is the InChIKey of N-cyclopentyl-3,4-dimethylbenzenesulfonamide?
The InChIKey is XDTGQZFNVJFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-7-8-13(9-11(10)2)17(15,16)14-12-5-3-4-6-12/h7-9,12,14H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-3,4-dimethylbenzenesulfonamide?
N-cyclopentyl-3,4-dimethylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2442814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).