N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide

C19H20N4O4S — CID 55560204

IUPACN,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)[nH]c2c1
InChIInChI=1S/C19H20N4O4S/c1-12-7-8-13-11-17(20-16(13)9-12)19(25)22-21-18(24)14-5-4-6-15(10-14)28(26,27)23(2)3/h4-11,20H,1-3H3,(H,21,24)(H,22,25)
InChIKeyGFVAYMUBGVBRBC-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.80
Rot. Bonds4

About N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide

N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 55560204) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID55560204
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCc1ccc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)[nH]c2c1
InChIInChI=1S/C19H20N4O4S/c1-12-7-8-13-11-17(20-16(13)9-12)19(25)22-21-18(24)14-5-4-6-15(10-14)28(26,27)23(2)3/h4-11,20H,1-3H3,(H,21,24)(H,22,25)
InChIKeyGFVAYMUBGVBRBC-UHFFFAOYSA-N
XLogP1.80
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(2-hydroxy-5-methylbenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43016473
N,N-dimethyl-3-[[(5-methylthiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 17463497
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 55559390
N,N-dimethyl-3-[[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 9427950
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N,N-dimethyl-3-[[[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]amino]carbamoyl]benzenesulfonamide
CID 24536143
3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
1-tert-butyl-3-[[3-(dimethylsulfamoyl)benzoyl]amino]thiourea
CID 9425452
N,N-dimethyl-3-[(3-methylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide
CID 24639201
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359863

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 55560204) is N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide is Cc1ccc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is GFVAYMUBGVBRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12-7-8-13-11-17(20-16(13)9-12)19(25)22-21-18(24)14-5-4-6-15(10-14)28(26,27)23(2)3/h4-11,20H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide?
N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(6-methyl-1H-indole-2-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 55560204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).