5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide

C14H20ClFN2O2S — CID 64748607

IUPAC5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2cc(N)c(F)cc2Cl)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-2-9-4-3-5-10(6-9)18-21(19,20)14-8-13(17)12(16)7-11(14)15/h7-10,18H,2-6,17H2,1H3
InChIKeyBVZHVMJQQRDKSZ-UHFFFAOYSA-N
MW334.84 g/mol
LogP3.31
Rot. Bonds4

About 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide (PubChem CID 64748607) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
PubChem CID64748607
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2cc(N)c(F)cc2Cl)C1
InChIInChI=1S/C14H20ClFN2O2S/c1-2-9-4-3-5-10(6-9)18-21(19,20)14-8-13(17)12(16)7-11(14)15/h7-10,18H,2-6,17H2,1H3
InChIKeyBVZHVMJQQRDKSZ-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64748610
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
5-amino-2-chloro-N-(1,1-dioxothian-3-yl)-4-fluorobenzenesulfonamide
CID 63923877
5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 61111911
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 61113212
5-amino-2-chloro-4-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62366150
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
CID 64748214
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide (CID 64748607) is 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide is CCC1CCCC(NS(=O)(=O)c2cc(N)c(F)cc2Cl)C1.
What is the InChIKey of 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
The InChIKey is BVZHVMJQQRDKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-2-9-4-3-5-10(6-9)18-21(19,20)14-8-13(17)12(16)7-11(14)15/h7-10,18H,2-6,17H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 64748607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).