N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

C22H18ClN3O4S — CID 163929936

IUPACN-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)c1ccc(CNC(=O)C2C=c3cnccc3=N2)cc1
InChIInChI=1S/C22H18ClN3O4S/c1-30-20-11-16(23)4-7-21(20)31(28,29)17-5-2-14(3-6-17)12-25-22(27)19-10-15-13-24-9-8-18(15)26-19/h2-11,13,19H,12H2,1H3,(H,25,27)
InChIKeyRHUVFWGCMASYHH-UHFFFAOYSA-N
MW455.92 g/mol
LogP1.68
Rot. Bonds6

About N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 163929936) has the molecular formula C22H18ClN3O4S and a molecular weight of 455.92 g/mol. Its IUPAC name is N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID163929936
Molecular FormulaC22H18ClN3O4S
Molecular Weight455.92 g/mol
Exact Mass455.07
IUPAC NameN-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)c1ccc(CNC(=O)C2C=c3cnccc3=N2)cc1
InChIInChI=1S/C22H18ClN3O4S/c1-30-20-11-16(23)4-7-21(20)31(28,29)17-5-2-14(3-6-17)12-25-22(27)19-10-15-13-24-9-8-18(15)26-19/h2-11,13,19H,12H2,1H3,(H,25,27)
InChIKeyRHUVFWGCMASYHH-UHFFFAOYSA-N
XLogP1.68
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide 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-[[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 163709157
N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 163619942
N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 146220988
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012795
N-[[4-(4-chloro-2-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609027
N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 138592993
1-(5-chloro-2-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55692250
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66609129
N-[[4-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90013323
1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1088313
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
CID 110410741

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 163929936) is N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1cc(Cl)ccc1S(=O)(=O)c1ccc(CNC(=O)C2C=c3cnccc3=N2)cc1.
What is the InChIKey of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is RHUVFWGCMASYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4S/c1-30-20-11-16(23)4-7-21(20)31(28,29)17-5-2-14(3-6-17)12-25-22(27)19-10-15-13-24-9-8-18(15)26-19/h2-11,13,19H,12H2,1H3,(H,25,27).
What are the key properties of N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 455.92 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 163929936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).