[4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid

C17H19N3O6S — CID 130406412

IUPAC[4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(NS(=O)(=O)c2cc(C)c(O)c(C(N)=O)c2)cc1
InChIInChI=1S/C17H19N3O6S/c1-3-20(17(23)24)12-6-4-11(5-7-12)19-27(25,26)13-8-10(2)15(21)14(9-13)16(18)22/h4-9,19,21H,3H2,1-2H3,(H2,18,22)(H,23,24)
InChIKeyGHUVXYMPPWUWKI-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.10
Rot. Bonds6

About [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid

[4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid (PubChem CID 130406412) has the molecular formula C17H19N3O6S and a molecular weight of 393.42 g/mol. Its IUPAC name is [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid.

Molecular Properties

Compound Name[4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid
PubChem CID130406412
Molecular FormulaC17H19N3O6S
Molecular Weight393.42 g/mol
Exact Mass393.10
IUPAC Name[4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1ccc(NS(=O)(=O)c2cc(C)c(O)c(C(N)=O)c2)cc1
InChIInChI=1S/C17H19N3O6S/c1-3-20(17(23)24)12-6-4-11(5-7-12)19-27(25,26)13-8-10(2)15(21)14(9-13)16(18)22/h4-9,19,21H,3H2,1-2H3,(H2,18,22)(H,23,24)
InChIKeyGHUVXYMPPWUWKI-UHFFFAOYSA-N
XLogP2.10
TPSA150.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
[4-[4-[carboxy(ethyl)amino]phenyl]sulfonylphenyl]-ethylcarbamic acid
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CID 130406207
3-chloro-5-[(1-ethylindol-5-yl)sulfamoyl]-2-hydroxybenzamide
CID 130406144
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
3-[[4-(diethylamino)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 8822368
5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
CID 35546879
5-[[4-(2-carboxypropan-2-yl)phenyl]sulfamoyl]-2,3-dimethylbenzoic acid
CID 71851420
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740

Frequently Asked Questions

What is the IUPAC name of [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid?
The IUPAC name of [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid (CID 130406412) is [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid.
What is the SMILES notation for [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid?
The canonical SMILES for [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid is CCN(C(=O)O)c1ccc(NS(=O)(=O)c2cc(C)c(O)c(C(N)=O)c2)cc1.
What is the InChIKey of [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid?
The InChIKey is GHUVXYMPPWUWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S/c1-3-20(17(23)24)12-6-4-11(5-7-12)19-27(25,26)13-8-10(2)15(21)14(9-13)16(18)22/h4-9,19,21H,3H2,1-2H3,(H2,18,22)(H,23,24).
What are the key properties of [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid?
[4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid has a molecular weight of 393.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-carbamoyl-4-hydroxy-5-methylphenyl)sulfonylamino]phenyl]-ethylcarbamic acid is sourced from PubChem (CID 130406412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).