N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide

C14H20Cl2N2O2S — CID 79113991

IUPACN-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-13(15)14(16)9-12/h7-11H,2-6,17H2,1H3
InChIKeyYCLPWOYOACNCFQ-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.27
Rot. Bonds4

About N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide

N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide (PubChem CID 79113991) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
PubChem CID79113991
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC NameN-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-13(15)14(16)9-12/h7-11H,2-6,17H2,1H3
InChIKeyYCLPWOYOACNCFQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 79113661
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
CID 79114135
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-chloro-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 107091207
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 79115776
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
CID 103100478
3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
2-chloro-N-cyclopentyl-N-ethylpyridine-4-sulfonamide
CID 54896063
N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 79113665

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide (CID 79113991) is N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide?
The InChIKey is YCLPWOYOACNCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-13(15)14(16)9-12/h7-11H,2-6,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide?
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 79113991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).