2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C14H20Cl2N2O2S — CID 79118129

IUPAC2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-11-4-6-12(7-5-11)18(2)21(19,20)14-9-10(15)3-8-13(14)16/h3,8-9,11-12,17H,4-7H2,1-2H3
InChIKeyOINUGCYFAVASMG-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.14
Rot. Bonds4

About 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79118129) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79118129
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2O2S/c1-17-11-4-6-12(7-5-11)18(2)21(19,20)14-9-10(15)3-8-13(14)16/h3,8-9,11-12,17H,4-7H2,1-2H3
InChIKeyOINUGCYFAVASMG-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118122
2-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79110620
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118279
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122467
2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79118129) is 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is OINUGCYFAVASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-17-11-4-6-12(7-5-11)18(2)21(19,20)14-9-10(15)3-8-13(14)16/h3,8-9,11-12,17H,4-7H2,1-2H3.
What are the key properties of 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79118129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).