N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide

C16H24N2O2S — CID 43454668

IUPACN-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccccc2S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C16H24N2O2S/c1-12-6-8-13(9-7-12)17-15-4-2-3-5-16(15)21(19,20)18-14-10-11-14/h2-5,12-14,17-18H,6-11H2,1H3
InChIKeyUONUAIMLXNMBHW-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.12
Rot. Bonds5

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

N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide (PubChem CID 43454668) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
PubChem CID43454668
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccccc2S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C16H24N2O2S/c1-12-6-8-13(9-7-12)17-15-4-2-3-5-16(15)21(19,20)18-14-10-11-14/h2-5,12-14,17-18H,6-11H2,1H3
InChIKeyUONUAIMLXNMBHW-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

N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-cyclopropylbenzenesulfonamide
CID 43599036
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide (CID 43454668) is N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide is CC1CCC(Nc2ccccc2S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is UONUAIMLXNMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-6-8-13(9-7-12)17-15-4-2-3-5-16(15)21(19,20)18-14-10-11-14/h2-5,12-14,17-18H,6-11H2,1H3.
What are the key properties of N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide?
N-cyclopropyl-2-[(4-methylcyclohexyl)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-2-[(4-methylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 43454668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).