N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide

C14H18ClN3O2S — CID 106031189

IUPACN-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c[nH]1
InChIInChI=1S/C14H18ClN3O2S/c1-3-16-8-12-7-13(9-17-12)21(19,20)18-14-6-11(15)5-4-10(14)2/h4-7,9,16-18H,3,8H2,1-2H3
InChIKeyONRWMIDNAJWKKY-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.89
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106031189) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106031189
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c[nH]1
InChIInChI=1S/C14H18ClN3O2S/c1-3-16-8-12-7-13(9-17-12)21(19,20)18-14-6-11(15)5-4-10(14)2/h4-7,9,16-18H,3,8H2,1-2H3
InChIKeyONRWMIDNAJWKKY-UHFFFAOYSA-N
XLogP2.89
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide 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-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
5-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106018447
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083665
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083008
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081287

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106031189) is N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c[nH]1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ONRWMIDNAJWKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-3-16-8-12-7-13(9-17-12)21(19,20)18-14-6-11(15)5-4-10(14)2/h4-7,9,16-18H,3,8H2,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106031189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).