N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide

C20H20ClFN4O4S — CID 130408703

IUPACN-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
SMILESCC(C)N(C(N)=O)S(=O)(=O)c1ccc(NC(=O)c2cc3c(Cl)c(F)ccc3n2C)cc1
InChIInChI=1S/C20H20ClFN4O4S/c1-11(2)26(20(23)28)31(29,30)13-6-4-12(5-7-13)24-19(27)17-10-14-16(25(17)3)9-8-15(22)18(14)21/h4-11H,1-3H3,(H2,23,28)(H,24,27)
InChIKeyGXJKMZNTJHOBMH-UHFFFAOYSA-N
MW466.92 g/mol
LogP3.70
Rot. Bonds5

About N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide

N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide (PubChem CID 130408703) has the molecular formula C20H20ClFN4O4S and a molecular weight of 466.92 g/mol. Its IUPAC name is N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
PubChem CID130408703
Molecular FormulaC20H20ClFN4O4S
Molecular Weight466.92 g/mol
Exact Mass466.09
IUPAC NameN-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
SMILESCC(C)N(C(N)=O)S(=O)(=O)c1ccc(NC(=O)c2cc3c(Cl)c(F)ccc3n2C)cc1
InChIInChI=1S/C20H20ClFN4O4S/c1-11(2)26(20(23)28)31(29,30)13-6-4-12(5-7-13)24-19(27)17-10-14-16(25(17)3)9-8-15(22)18(14)21/h4-11H,1-3H3,(H2,23,28)(H,24,27)
InChIKeyGXJKMZNTJHOBMH-UHFFFAOYSA-N
XLogP3.70
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408721
4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
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
5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 145367786
4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55600497
4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420421
5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420435
ethyl 2-[4-[(1S)-1-[(4-chloro-5-fluoro-1-methylindole-2-carbonyl)amino]-2-hydroxyethyl]phenyl]butanoate
CID 177063848
4-chloro-N-[3-fluoro-4-(pyrazin-2-ylsulfamoyl)phenyl]-1,5-dimethylindole-2-carboxamide
CID 130420503

Frequently Asked Questions

What is the IUPAC name of N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide?
The IUPAC name of N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide (CID 130408703) is N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide is CC(C)N(C(N)=O)S(=O)(=O)c1ccc(NC(=O)c2cc3c(Cl)c(F)ccc3n2C)cc1.
What is the InChIKey of N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide?
The InChIKey is GXJKMZNTJHOBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O4S/c1-11(2)26(20(23)28)31(29,30)13-6-4-12(5-7-13)24-19(27)17-10-14-16(25(17)3)9-8-15(22)18(14)21/h4-11H,1-3H3,(H2,23,28)(H,24,27).
What are the key properties of N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide?
N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide has a molecular weight of 466.92 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide is sourced from PubChem (CID 130408703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).