1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid

C19H18N4O4S — CID 170332020

IUPAC1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)NC(=O)O)cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C19H18N4O4S/c1-11-3-8-16(18-17(11)14(9-20)10-21-18)23-28(26,27)15-6-4-13(5-7-15)12(2)22-19(24)25/h3-8,10,12,21-23H,1-2H3,(H,24,25)
InChIKeyGORMOYKIYMVHGZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.48
Rot. Bonds5

About 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid

1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid (PubChem CID 170332020) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
PubChem CID170332020
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)NC(=O)O)cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C19H18N4O4S/c1-11-3-8-16(18-17(11)14(9-20)10-21-18)23-28(26,27)15-6-4-13(5-7-15)12(2)22-19(24)25/h3-8,10,12,21-23H,1-2H3,(H,24,25)
InChIKeyGORMOYKIYMVHGZ-UHFFFAOYSA-N
XLogP3.48
TPSA135.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
N-(3-ethynyl-4-methyl-1H-indol-7-yl)-4-propan-2-ylbenzenesulfonamide
CID 157165213
propan-2-yl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 166148415
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
CID 126455838
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 164863806
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
benzyl N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]-methylamino]carbamate
CID 166430256
2-[4-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]amino]imidazol-1-yl]acetic acid
CID 167828382
4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 167807391
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid?
The IUPAC name of 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid (CID 170332020) is 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid.
What is the SMILES notation for 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid?
The canonical SMILES for 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid is Cc1ccc(NS(=O)(=O)c2ccc(C(C)NC(=O)O)cc2)c2[nH]cc(C#N)c12.
What is the InChIKey of 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid?
The InChIKey is GORMOYKIYMVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-11-3-8-16(18-17(11)14(9-20)10-21-18)23-28(26,27)15-6-4-13(5-7-15)12(2)22-19(24)25/h3-8,10,12,21-23H,1-2H3,(H,24,25).
What are the key properties of 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid?
1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid has a molecular weight of 398.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid is sourced from PubChem (CID 170332020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).