N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide

C13H17Cl2FN2O2S — CID 103089103

IUPACN-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H17Cl2FN2O2S/c1-18(9-4-2-8(17)3-5-9)21(19,20)11-7-6-10(14)13(16)12(11)15/h6-9H,2-5,17H2,1H3
InChIKeyXNDRSNWCRCYQLM-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.02
Rot. Bonds3

About N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide

N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 103089103) has the molecular formula C13H17Cl2FN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
PubChem CID103089103
Molecular FormulaC13H17Cl2FN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.04
IUPAC NameN-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H17Cl2FN2O2S/c1-18(9-4-2-8(17)3-5-9)21(19,20)11-7-6-10(14)13(16)12(11)15/h6-9H,2-5,17H2,1H3
InChIKeyXNDRSNWCRCYQLM-UHFFFAOYSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99858909
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
2,6-dichloro-3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247630
2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 91662378
2-[cyclopropyl-(2,4-dichloro-3-fluorophenyl)sulfonylamino]acetic acid
CID 103087535
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
CID 103087901
N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
CID 79113443
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide (CID 103089103) is N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide is CN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is XNDRSNWCRCYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O2S/c1-18(9-4-2-8(17)3-5-9)21(19,20)11-7-6-10(14)13(16)12(11)15/h6-9H,2-5,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 103089103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).