5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide

C14H22ClN3O2S — CID 43576335

IUPAC5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-3-18-8-6-12(7-9-18)17(2)21(19,20)14-10-11(16)4-5-13(14)15/h4-5,10,12H,3,6-9,16H2,1-2H3
InChIKeyFGIZSTJOLJTJHW-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.03
Rot. Bonds4

About 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide

5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide (PubChem CID 43576335) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
PubChem CID43576335
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-3-18-8-6-12(7-9-18)17(2)21(19,20)14-10-11(16)4-5-13(14)15/h4-5,10,12H,3,6-9,16H2,1-2H3
InChIKeyFGIZSTJOLJTJHW-UHFFFAOYSA-N
XLogP2.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
4-amino-2-chloro-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266881
4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 134018860
2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 62157571
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
N-(1-ethylpiperidin-4-yl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 36649212
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide (CID 43576335) is 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide is CCN1CCC(N(C)S(=O)(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide?
The InChIKey is FGIZSTJOLJTJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-3-18-8-6-12(7-9-18)17(2)21(19,20)14-10-11(16)4-5-13(14)15/h4-5,10,12H,3,6-9,16H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide?
5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43576335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).