4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid

C11H14N2O6S — CID 114461975

IUPAC4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O6S/c1-7(2)19-11(16)13-20(17,18)12-9-5-3-8(4-6-9)10(14)15/h3-7,12H,1-2H3,(H,13,16)(H,14,15)
InChIKeyKDPIRLOTSBMGJA-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.18
Rot. Bonds5

About 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid

4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid (PubChem CID 114461975) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
PubChem CID114461975
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O6S/c1-7(2)19-11(16)13-20(17,18)12-9-5-3-8(4-6-9)10(14)15/h3-7,12H,1-2H3,(H,13,16)(H,14,15)
InChIKeyKDPIRLOTSBMGJA-UHFFFAOYSA-N
XLogP1.18
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466358
propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
CID 114463997
propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate
CID 114051889
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
methyl N-[(4-acetylphenyl)sulfamoyl]carbamate
CID 115872551
2-chloro-6-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114462676
propan-2-yl N-[(3-carbamimidoylphenyl)sulfamoyl]carbamate
CID 114467292
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
4-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79149174
4-methyl-3-(propan-2-yloxycarbonylsulfamoylamino)thiophene-2-carboxylic acid
CID 114915175
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid?
The IUPAC name of 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid (CID 114461975) is 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid.
What is the SMILES notation for 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid?
The canonical SMILES for 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid is CC(C)OC(=O)NS(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid?
The InChIKey is KDPIRLOTSBMGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-7(2)19-11(16)13-20(17,18)12-9-5-3-8(4-6-9)10(14)15/h3-7,12H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid?
4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid has a molecular weight of 302.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114461975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).