1-naphthalen-2-ylsulfonylindole-3-carboxamide

C19H14N2O3S — CID 16654882

IUPAC1-naphthalen-2-ylsulfonylindole-3-carboxamide
SMILESNC(=O)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C19H14N2O3S/c20-19(22)17-12-21(18-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H2,20,22)
InChIKeyYTVUIQVYWSEJBQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.13
Rot. Bonds3

About 1-naphthalen-2-ylsulfonylindole-3-carboxamide

1-naphthalen-2-ylsulfonylindole-3-carboxamide (PubChem CID 16654882) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylindole-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylindole-3-carboxamide
PubChem CID16654882
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name1-naphthalen-2-ylsulfonylindole-3-carboxamide
SMILESNC(=O)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C19H14N2O3S/c20-19(22)17-12-21(18-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H2,20,22)
InChIKeyYTVUIQVYWSEJBQ-UHFFFAOYSA-N
XLogP3.13
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
CID 87969673
1-(benzenesulfonyl)indole-3-carboxylate
CID 6932015
2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine
CID 73082585
2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine
CID 87970516
2-[(Z)-1-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10001896
1-[1-(benzenesulfonyl)indol-3-yl]-2,2-dibromoethanone
CID 165354789
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720
2-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoic acid
CID 57310386
1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbut-2-en-1-one
CID 14061753
1-(4-butylphenyl)sulfonylindole-3-carboxylic acid
CID 59596767
2-[(E)-[cyclopropyl-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]methylidene]amino]guanidine
CID 22394667
naphthalene-2-sulfonic acid;zinc
CID 87263273

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylindole-3-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonylindole-3-carboxamide (CID 16654882) is 1-naphthalen-2-ylsulfonylindole-3-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylindole-3-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonylindole-3-carboxamide is NC(=O)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 1-naphthalen-2-ylsulfonylindole-3-carboxamide?
The InChIKey is YTVUIQVYWSEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c20-19(22)17-12-21(18-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H2,20,22).
What are the key properties of 1-naphthalen-2-ylsulfonylindole-3-carboxamide?
1-naphthalen-2-ylsulfonylindole-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylindole-3-carboxamide is sourced from PubChem (CID 16654882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).