3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

C14H20ClFN2O2S — CID 103050830

IUPAC3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(N)c2F)CC1
InChIInChI=1S/C14H20ClFN2O2S/c1-9-3-5-11(6-4-9)18(2)21(19,20)13-8-10(15)7-12(17)14(13)16/h7-9,11H,3-6,17H2,1-2H3
InChIKeySSYDLQKVZXQAEZ-UHFFFAOYSA-N
MW334.84 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 103050830) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID103050830
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(N)c2F)CC1
InChIInChI=1S/C14H20ClFN2O2S/c1-9-3-5-11(6-4-9)18(2)21(19,20)13-8-10(15)7-12(17)14(13)16/h7-9,11H,3-6,17H2,1-2H3
InChIKeySSYDLQKVZXQAEZ-UHFFFAOYSA-N
XLogP3.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.26
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

5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 4022271
5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4320062
3-chloro-N-[4-[(dimethylamino)methyl]-3-fluorophenyl]benzenesulfonamide
CID 72104158
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 3854254
3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4,6-trifluorobenzenesulfonamide
CID 4833534
3-chloro-N-[3-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8193041
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
CID 8193651
5-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 8193708
5-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519734
5-[(3-Chloro-4-fluorophenyl)sulfonylamino]-2-methylbenzenesulfonamide
CID 9241406
3-chloro-4-fluoro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 26978962
3-amino-N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 28527841

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 103050830) is 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is CC1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(N)c2F)CC1.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is SSYDLQKVZXQAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-9-3-5-11(6-4-9)18(2)21(19,20)13-8-10(15)7-12(17)14(13)16/h7-9,11H,3-6,17H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 103050830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).