4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid

C18H18N2O6S — CID 99780414

IUPAC4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
SMILESCOc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H18N2O6S/c1-26-15-10-14(19-17(21)11-2-3-11)8-9-16(15)27(24,25)20-13-6-4-12(5-7-13)18(22)23/h4-11,20H,2-3H2,1H3,(H,19,21)(H,22,23)
InChIKeyRHAPTCDMPXQXMU-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.54
Rot. Bonds7

About 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid

4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid (PubChem CID 99780414) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
PubChem CID99780414
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid
SMILESCOc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H18N2O6S/c1-26-15-10-14(19-17(21)11-2-3-11)8-9-16(15)27(24,25)20-13-6-4-12(5-7-13)18(22)23/h4-11,20H,2-3H2,1H3,(H,19,21)(H,22,23)
InChIKeyRHAPTCDMPXQXMU-UHFFFAOYSA-N
XLogP2.54
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
ethyl 4-({N-[(4-methoxyphenyl)sulfonyl]-N-methylglycyl}amino)benzoate
CID 1312513
N-(4-{[(2,5-dimethoxyphenyl)amino]sulfonyl}phenyl)-4-[(methylsulfonyl)amino]benzamide
CID 2225777
3-(dimethylsulfamoyl)-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675739
ethyl 4-({N-[(4-methoxyphenyl)sulfonyl]alanyl}amino)benzoate
CID 2969829
4-(dimethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 4324618
(2R)-2-[[4-[(4-(111C)methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 11761293
N-[4-(acetylsulfamoyl)phenyl]-4-methoxybenzamide
CID 3738288
4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide
CID 38770534
4-[[3-[(4-Methoxyphenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid
CID 3090494
N-(3-methoxyphenyl)-3-sulfamoylbenzamide
CID 164615034

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid?
The IUPAC name of 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid (CID 99780414) is 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid is COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid?
The InChIKey is RHAPTCDMPXQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-26-15-10-14(19-17(21)11-2-3-11)8-9-16(15)27(24,25)20-13-6-4-12(5-7-13)18(22)23/h4-11,20H,2-3H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid?
4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid has a molecular weight of 390.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropanecarbonylamino)-2-methoxyphenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 99780414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).