4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide

C14H20Cl2N2O2S — CID 61114490

IUPAC4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-18(9-10-5-3-2-4-6-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h7-8,10H,2-6,9,17H2,1H3
InChIKeyXPYJCRQYKLPDAH-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.78
Rot. Bonds4

About 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide

4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide (PubChem CID 61114490) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
PubChem CID61114490
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-18(9-10-5-3-2-4-6-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h7-8,10H,2-6,9,17H2,1H3
InChIKeyXPYJCRQYKLPDAH-UHFFFAOYSA-N
XLogP3.78
TPSA63.40 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 55125659
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726437
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781
3-amino-5-chloro-N-(cyclopropylmethyl)-N,4-dimethylbenzenesulfonamide
CID 54904750
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide (CID 61114490) is 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide is CN(CC1CCCCC1)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is XPYJCRQYKLPDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-18(9-10-5-3-2-4-6-10)21(19,20)14-12(15)7-11(17)8-13(14)16/h7-8,10H,2-6,9,17H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61114490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).