7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide

C19H14ClN5O3S — CID 108791703

IUPAC7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C19H14ClN5O3S/c20-15-4-1-3-12-11-16(24-17(12)15)18(26)23-13-5-7-14(8-6-13)29(27,28)25-19-21-9-2-10-22-19/h1-11,24H,(H,23,26)(H,21,22,25)
InChIKeyUHBIDCQCWFMAIC-UHFFFAOYSA-N
MW427.87 g/mol
LogP3.66
Rot. Bonds5

About 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide

7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 108791703) has the molecular formula C19H14ClN5O3S and a molecular weight of 427.87 g/mol. Its IUPAC name is 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide
PubChem CID108791703
Molecular FormulaC19H14ClN5O3S
Molecular Weight427.87 g/mol
Exact Mass427.05
IUPAC Name7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C19H14ClN5O3S/c20-15-4-1-3-12-11-16(24-17(12)15)18(26)23-13-5-7-14(8-6-13)29(27,28)25-19-21-9-2-10-22-19/h1-11,24H,(H,23,26)(H,21,22,25)
InChIKeyUHBIDCQCWFMAIC-UHFFFAOYSA-N
XLogP3.66
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791702
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide
CID 108791740
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 53382181
2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43876591
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide (CID 108791703) is 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is UHBIDCQCWFMAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3S/c20-15-4-1-3-12-11-16(24-17(12)15)18(26)23-13-5-7-14(8-6-13)29(27,28)25-19-21-9-2-10-22-19/h1-11,24H,(H,23,26)(H,21,22,25).
What are the key properties of 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 427.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).