4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide

C16H14FN3O3S — CID 36817888

IUPAC4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-24(22,23)20-11-7-5-10(6-8-11)18-16(21)15-9-12-13(17)3-2-4-14(12)19-15/h2-9,19-20H,1H3,(H,18,21)
InChIKeyIJZOJEQHZQACFG-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.93
Rot. Bonds4

About 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide

4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide (PubChem CID 36817888) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
PubChem CID36817888
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-24(22,23)20-11-7-5-10(6-8-11)18-16(21)15-9-12-13(17)3-2-4-14(12)19-15/h2-9,19-20H,1H3,(H,18,21)
InChIKeyIJZOJEQHZQACFG-UHFFFAOYSA-N
XLogP2.93
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
CID 55843504
4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
CID 36805707
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 31401736
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
4-fluoro-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 60552905
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 171676565

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide (CID 36817888) is 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide?
The InChIKey is IJZOJEQHZQACFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-24(22,23)20-11-7-5-10(6-8-11)18-16(21)15-9-12-13(17)3-2-4-14(12)19-15/h2-9,19-20H,1H3,(H,18,21).
What are the key properties of 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide?
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 36817888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).