N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide

C16H24N2O2S — CID 79870274

IUPACN-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
SMILESCC1(C)CCCC1Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-16(2)11-3-4-15(16)17-12-7-9-14(10-8-12)21(19,20)18-13-5-6-13/h7-10,13,15,17-18H,3-6,11H2,1-2H3
InChIKeyKVGZMJQZHKHUFD-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide

N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide (PubChem CID 79870274) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
PubChem CID79870274
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide
SMILESCC1(C)CCCC1Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-16(2)11-3-4-15(16)17-12-7-9-14(10-8-12)21(19,20)18-13-5-6-13/h7-10,13,15,17-18H,3-6,11H2,1-2H3
InChIKeyKVGZMJQZHKHUFD-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzenesulfonamide
CID 79871213
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
CID 79860490
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
CID 59891712
N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 61211616
N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 79878268

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide (CID 79870274) is N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide is CC1(C)CCCC1Nc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide?
The InChIKey is KVGZMJQZHKHUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2)11-3-4-15(16)17-12-7-9-14(10-8-12)21(19,20)18-13-5-6-13/h7-10,13,15,17-18H,3-6,11H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide?
N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide has a molecular weight of 308.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,2-dimethylcyclopentyl)amino]benzenesulfonamide is sourced from PubChem (CID 79870274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).