N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide

C15H18ClNO4S2 — CID 9301957

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H18ClNO4S2/c1-4-17(10-11-5-8-15(16)22-11)23(18,19)12-6-7-13(20-2)14(9-12)21-3/h5-9H,4,10H2,1-3H3
InChIKeyVRIAENNFJSIVRA-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.63
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide (PubChem CID 9301957) has the molecular formula C15H18ClNO4S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
PubChem CID9301957
Molecular FormulaC15H18ClNO4S2
Molecular Weight375.90 g/mol
Exact Mass375.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H18ClNO4S2/c1-4-17(10-11-5-8-15(16)22-11)23(18,19)12-6-7-13(20-2)14(9-12)21-3/h5-9H,4,10H2,1-3H3
InChIKeyVRIAENNFJSIVRA-UHFFFAOYSA-N
XLogP3.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide 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

4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
CID 134002462
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
N-(2-cyanoethyl)-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 39419244
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 61126736
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
4-[4-(5-chlorothiophen-2-yl)butan-2-yl]-N,N-diethylbenzenesulfonamide
CID 152973851

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide (CID 9301957) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide?
The InChIKey is VRIAENNFJSIVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4S2/c1-4-17(10-11-5-8-15(16)22-11)23(18,19)12-6-7-13(20-2)14(9-12)21-3/h5-9H,4,10H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide has a molecular weight of 375.90 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 9301957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).