N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide

C16H26N2O2S — CID 62704990

IUPACN-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2O2S/c1-12(2)13-7-9-14(10-8-13)18-15-5-4-6-16(11-15)21(19,20)17-3/h4-6,11-14,17-18H,7-10H2,1-3H3
InChIKeyUTUXQBQMHRWFFM-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide

N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide (PubChem CID 62704990) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
PubChem CID62704990
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C16H26N2O2S/c1-12(2)13-7-9-14(10-8-13)18-15-5-4-6-16(11-15)21(19,20)17-3/h4-6,11-14,17-18H,7-10H2,1-3H3
InChIKeyUTUXQBQMHRWFFM-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64734342
N-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62871608
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
CID 62702969
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 115375907
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
CID 62702824
3-(2-dodecan-2-ylhydrazinyl)-N-methylbenzenesulfonamide
CID 57192896
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 79828479
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide (CID 62704990) is N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide is CNS(=O)(=O)c1cccc(NC2CCC(C(C)C)CC2)c1.
What is the InChIKey of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is UTUXQBQMHRWFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)13-7-9-14(10-8-13)18-15-5-4-6-16(11-15)21(19,20)17-3/h4-6,11-14,17-18H,7-10H2,1-3H3.
What are the key properties of N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide?
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 62704990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).