7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C21H17ClN4O3S — CID 89134351

IUPAC7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2N1c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O3S/c1-13-5-6-14-11-19(25-20(14)26(13)17-9-7-15(22)8-10-17)21(27)24-16-3-2-4-18(12-16)30(23,28)29/h2-12,25H,1H2,(H,24,27)(H2,23,28,29)
InChIKeyMIIQOPBMHVPQDN-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.25
Rot. Bonds4

About 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 89134351) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID89134351
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2N1c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O3S/c1-13-5-6-14-11-19(25-20(14)26(13)17-9-7-15(22)8-10-17)21(27)24-16-3-2-4-18(12-16)30(23,28)29/h2-12,25H,1H2,(H,24,27)(H2,23,28,29)
InChIKeyMIIQOPBMHVPQDN-UHFFFAOYSA-N
XLogP4.25
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-(3-fluoro-4-methoxyphenyl)-6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-N-(1-phenylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;methane
CID 160903640
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate
CID 157423454
4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 61251224
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 27159868
4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 60692132

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134351) is 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c2N1c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is MIIQOPBMHVPQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-13-5-6-14-11-19(25-20(14)26(13)17-9-7-15(22)8-10-17)21(27)24-16-3-2-4-18(12-16)30(23,28)29/h2-12,25H,1H2,(H,24,27)(H2,23,28,29).
What are the key properties of 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-6-methylidene-N-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 89134351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).