N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide

C18H18N2O3S — CID 175152929

IUPACN,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(C(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-4-7-16(8-5-13)24(22,23)20-11-10-14-12-15(6-9-17(14)20)18(21)19(2)3/h4-12H,1-3H3
InChIKeyZHGACPLQHVNRHH-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.89
Rot. Bonds3

About N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide

N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide (PubChem CID 175152929) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
PubChem CID175152929
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(C(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-4-7-16(8-5-13)24(22,23)20-11-10-14-12-15(6-9-17(14)20)18(21)19(2)3/h4-12H,1-3H3
InChIKeyZHGACPLQHVNRHH-UHFFFAOYSA-N
XLogP2.89
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone
CID 12925074
3-[1-(4-methylphenyl)sulfonylindol-5-yl]oxybenzoic acid
CID 167504687
N-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-N-[(2R,3S)-1,2,3-tris(4-methoxyphenyl)-4-oxoazetidin-3-yl]indole-5-carboxamide
CID 132530659
5-(3,3-dimethylbut-1-ynyl)-1-(4-methylphenyl)sulfonylindole
CID 175964877
1-(benzenesulfonyl)-N,N-dimethylindol-5-amine
CID 162661549
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
magnesium;2-methylbutane;4-methyl-1-[1-(4-methylphenyl)sulfonylindol-5-yl]pentan-1-one;1-(4-methylphenyl)sulfonylindole-5-carbonitrile;bromide
CID 167547877
5-(3-bicyclo[3.1.0]hex-2-enyl)-1-(4-methylphenyl)sulfonylindole
CID 134963234
3-[1-(4-methylphenyl)sulfonylindol-5-yl]oxolan-2-one
CID 102495136
1-chloro-3-[[1-(4-methylphenyl)sulfonylindol-5-yl]amino]propan-2-ol
CID 168637603

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide?
The IUPAC name of N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide (CID 175152929) is N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide is Cc1ccc(S(=O)(=O)n2ccc3cc(C(=O)N(C)C)ccc32)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide?
The InChIKey is ZHGACPLQHVNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-4-7-16(8-5-13)24(22,23)20-11-10-14-12-15(6-9-17(14)20)18(21)19(2)3/h4-12H,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide?
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide is sourced from PubChem (CID 175152929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).