4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide

C19H15ClN4O3S — CID 162658384

IUPAC4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C19H15ClN4O3S/c1-11-22-18-17(19(25)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,26)27/h2-10H,1H3,(H2,21,26,27)(H,22,23,25)
InChIKeyPTAICQISDXNNOQ-UHFFFAOYSA-N
MW414.87 g/mol
LogP2.99
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide (PubChem CID 162658384) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
PubChem CID162658384
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
SMILESCc1nc2c(c(-c3ccc(Cl)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1
InChIInChI=1S/C19H15ClN4O3S/c1-11-22-18-17(19(25)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,26)27/h2-10H,1H3,(H2,21,26,27)(H,22,23,25)
InChIKeyPTAICQISDXNNOQ-UHFFFAOYSA-N
XLogP2.99
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-2''-sulfamoylbiphenyl-4-carboxamide
CID 10207569
7-(3-Chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463376
2,4-Dichloro-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1078173
2-(4-Chloro-phenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1164395
4-chloro-N-[4-oxo-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]butyl]benzamide
CID 2492534
N,N-Diethyl-4-{[2-(5-methylpyridin-2-YL)-3-oxo-2,3-dihydro-1H-isoindol-1-YL]amino}benzene-1-sulfonamide
CID 9550097
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25162269
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 25163487
4-[5-(4-Bromophenyl)-3-(4-chlorobenzoyl)-2-(4-chlorophenyl)-4-oxopyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 118716514
N-[4-(4-chlorophenyl)-3-cyano-1-(4-sulfamoylphenyl)pyrrol-2-yl]acetamide
CID 162650316
4-[5-(4-chlorophenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162670332
3-Chloro-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1078169

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide (CID 162658384) is 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide is Cc1nc2c(c(-c3ccc(Cl)cc3)cn2-c2ccc(S(N)(=O)=O)cc2)c(=O)[nH]1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide?
The InChIKey is PTAICQISDXNNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-11-22-18-17(19(25)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,26)27/h2-10H,1H3,(H2,21,26,27)(H,22,23,25).
What are the key properties of 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide has a molecular weight of 414.87 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide is sourced from PubChem (CID 162658384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).