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

C22H20N4O5S2 — CID 86762817

IUPACN-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)c4cccc(N)c4)c3)[nH]c2c1
InChIInChI=1S/C22H20N4O5S2/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,23H2,1H3,(H,24,27)
InChIKeyRJNNMYPGYODCRC-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.21
Rot. Bonds6

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

N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide (PubChem CID 86762817) has the molecular formula C22H20N4O5S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
PubChem CID86762817
Molecular FormulaC22H20N4O5S2
Molecular Weight484.56 g/mol
Exact Mass484.09
IUPAC NameN-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)c4cccc(N)c4)c3)[nH]c2c1
InChIInChI=1S/C22H20N4O5S2/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,23H2,1H3,(H,24,27)
InChIKeyRJNNMYPGYODCRC-UHFFFAOYSA-N
XLogP3.21
TPSA151.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-bromophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide
CID 86762816
6-(methylsulfamoylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-indole-2-carboxamide
CID 121283669
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
N-(3-methoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207365
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
lithium 3-[[3-(methanesulfonamido)phenyl]carbamoyl]benzenesulfonate
CID 20769669
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
methyl 3-[(6-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113207378
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methylsulfonyl-1H-indole-2-carboxamide
CID 91235599
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide (CID 86762817) is N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide is CS(=O)(=O)Nc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)c4cccc(N)c4)c3)[nH]c2c1.
What is the InChIKey of N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
The InChIKey is RJNNMYPGYODCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S2/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,23H2,1H3,(H,24,27).
What are the key properties of N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide?
N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminophenyl)sulfonylphenyl]-6-(methanesulfonamido)-1H-indole-2-carboxamide is sourced from PubChem (CID 86762817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).