N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide

C22H18BrN3O5S2 — CID 86762816

IUPACN-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)c4cccc(Br)c4)c3)[nH]c2c1
InChIInChI=1S/C22H18BrN3O5S2/c1-32(28,29)26-17-9-8-14-10-21(25-20(14)13-17)22(27)24-16-5-3-7-19(12-16)33(30,31)18-6-2-4-15(23)11-18/h2-13,25-26H,1H3,(H,24,27)
InChIKeySNSJRCJZTUZWER-UHFFFAOYSA-N
MW548.44 g/mol
LogP4.39
Rot. Bonds6

About N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide

N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide (PubChem CID 86762816) has the molecular formula C22H18BrN3O5S2 and a molecular weight of 548.44 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
PubChem CID86762816
Molecular FormulaC22H18BrN3O5S2
Molecular Weight548.44 g/mol
Exact Mass546.99
IUPAC NameN-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)c4cccc(Br)c4)c3)[nH]c2c1
InChIInChI=1S/C22H18BrN3O5S2/c1-32(28,29)26-17-9-8-14-10-21(25-20(14)13-17)22(27)24-16-5-3-7-19(12-16)33(30,31)18-6-2-4-15(23)11-18/h2-13,25-26H,1H3,(H,24,27)
InChIKeySNSJRCJZTUZWER-UHFFFAOYSA-N
XLogP4.39
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.44
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
CID 86762817
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide
CID 121283669
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113207378
6-bromo-N-(2-hydroxy-3-methylphenyl)-1H-indole-2-carboxamide
CID 159678407
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
CID 31861888
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
lithium 3-[[3-(methanesulfonamido)phenyl]carbamoyl]benzenesulfonate
CID 20769669
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide (CID 86762816) is N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide is CS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)c4cccc(Br)c4)c3)[nH]c2c1.
What is the InChIKey of N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
The InChIKey is SNSJRCJZTUZWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O5S2/c1-32(28,29)26-17-9-8-14-10-21(25-20(14)13-17)22(27)24-16-5-3-7-19(12-16)33(30,31)18-6-2-4-15(23)11-18/h2-13,25-26H,1H3,(H,24,27).
What are the key properties of N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide has a molecular weight of 548.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide is sourced from PubChem (CID 86762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).