4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide

C16H13Cl2N3O3S — CID 130408598

IUPAC4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C16H13Cl2N3O3S/c1-21-13-7-6-12(17)15(18)11(13)8-14(21)16(22)20-9-2-4-10(5-3-9)25(19,23)24/h2-8H,1H3,(H,20,22)(H2,19,23,24)
InChIKeyAVLGFYUCDQOAKY-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.38
Rot. Bonds3

About 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide

4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide (PubChem CID 130408598) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
PubChem CID130408598
Molecular FormulaC16H13Cl2N3O3S
Molecular Weight398.27 g/mol
Exact Mass397.01
IUPAC Name4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C16H13Cl2N3O3S/c1-21-13-7-6-12(17)15(18)11(13)8-14(21)16(22)20-9-2-4-10(5-3-9)25(19,23)24/h2-8H,1H3,(H,20,22)(H2,19,23,24)
InChIKeyAVLGFYUCDQOAKY-UHFFFAOYSA-N
XLogP3.38
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408721
4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420421
4,5-dichloro-N-[4-(4-hydroxybutan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
CID 130420714
(3R)-3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408567
3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408666
N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
CID 130408703
5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 145367786
4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
1,2,3-trimethyl-N-(4-sulfamoylphenyl)indole-5-carboxamide
CID 35328187
5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420435
4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide
CID 130416961
4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 3604338

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide (CID 130408598) is 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
The InChIKey is AVLGFYUCDQOAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c1-21-13-7-6-12(17)15(18)11(13)8-14(21)16(22)20-9-2-4-10(5-3-9)25(19,23)24/h2-8H,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide?
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide has a molecular weight of 398.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide is sourced from PubChem (CID 130408598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).