N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide

C13H20ClNO3S — CID 110758150

IUPACN-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-4-6-9-15(3)19(16,17)11-7-8-13(18-5-2)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyOFTZGMNVFCBCLM-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.16
Rot. Bonds7

About N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide

N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide (PubChem CID 110758150) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
PubChem CID110758150
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC NameN-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-4-6-9-15(3)19(16,17)11-7-8-13(18-5-2)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyOFTZGMNVFCBCLM-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 45372712
N-(3-aminopropyl)-3-chloro-4-(difluoromethoxy)-N-methylbenzenesulfonamide
CID 115319094
N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45372774
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
CID 43294579
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45372744
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-[1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 43872610

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide (CID 110758150) is N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1ccc(OCC)c(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is OFTZGMNVFCBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-4-6-9-15(3)19(16,17)11-7-8-13(18-5-2)12(14)10-11/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide?
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 110758150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).