5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide

C18H14ClFN6O3S — CID 130420435

IUPAC5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncn[nH]3)cc2)cc2c(F)c(Cl)ccc21
InChIInChI=1S/C18H14ClFN6O3S/c1-26-14-7-6-13(19)16(20)12(14)8-15(26)17(27)23-10-2-4-11(5-3-10)30(28,29)25-18-21-9-22-24-18/h2-9H,1H3,(H,23,27)(H2,21,22,24,25)
InChIKeyHDRPULJRGUGYHO-UHFFFAOYSA-N
MW448.87 g/mol
LogP3.14
Rot. Bonds5

About 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide

5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide (PubChem CID 130420435) has the molecular formula C18H14ClFN6O3S and a molecular weight of 448.87 g/mol. Its IUPAC name is 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
PubChem CID130420435
Molecular FormulaC18H14ClFN6O3S
Molecular Weight448.87 g/mol
Exact Mass448.05
IUPAC Name5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncn[nH]3)cc2)cc2c(F)c(Cl)ccc21
InChIInChI=1S/C18H14ClFN6O3S/c1-26-14-7-6-13(19)16(20)12(14)8-15(26)17(27)23-10-2-4-11(5-3-10)30(28,29)25-18-21-9-22-24-18/h2-9H,1H3,(H,23,27)(H2,21,22,24,25)
InChIKeyHDRPULJRGUGYHO-UHFFFAOYSA-N
XLogP3.14
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420421
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
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
3-(3-chlorophenyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]prop-2-enamide
CID 74954141
N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
CID 130408703
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2348802
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 63666659
4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide
CID 130420503
4-chloro-1,5-dimethyl-N-[4-(1H-pyrazol-5-ylamino)sulfanylphenyl]indole-2-carboxamide
CID 145367749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide?
The IUPAC name of 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide (CID 130420435) is 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide.
What is the SMILES notation for 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide?
The canonical SMILES for 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncn[nH]3)cc2)cc2c(F)c(Cl)ccc21.
What is the InChIKey of 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide?
The InChIKey is HDRPULJRGUGYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6O3S/c1-26-14-7-6-13(19)16(20)12(14)8-15(26)17(27)23-10-2-4-11(5-3-10)30(28,29)25-18-21-9-22-24-18/h2-9H,1H3,(H,23,27)(H2,21,22,24,25).
What are the key properties of 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide?
5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide has a molecular weight of 448.87 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide is sourced from PubChem (CID 130420435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).