N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide

C15H22N2O2S — CID 114547826

IUPACN-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-11-2-3-14(10-11)16-12-6-8-15(9-7-12)20(18,19)17-13-4-5-13/h6-9,11,13-14,16-17H,2-5,10H2,1H3
InChIKeyCEELBTDJYRBFTB-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.73
Rot. Bonds5

About N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide

N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide (PubChem CID 114547826) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
PubChem CID114547826
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-11-2-3-14(10-11)16-12-6-8-15(9-7-12)20(18,19)17-13-4-5-13/h6-9,11,13-14,16-17H,2-5,10H2,1H3
InChIKeyCEELBTDJYRBFTB-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 61211616
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
CID 114545305
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-(3-methylcyclopentyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114549400
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
CID 79870274
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide (CID 114547826) is N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide is CC1CCC(Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide?
The InChIKey is CEELBTDJYRBFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-2-3-14(10-11)16-12-6-8-15(9-7-12)20(18,19)17-13-4-5-13/h6-9,11,13-14,16-17H,2-5,10H2,1H3.
What are the key properties of N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide?
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide has a molecular weight of 294.42 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 N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 114547826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).