2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid

C12H16N2O4S — CID 113463888

IUPAC2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid
SMILESCC1CC1CNc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-7-4-8(7)6-14-11-3-2-9(19(13,17)18)5-10(11)12(15)16/h2-3,5,7-8,14H,4,6H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyPRILEHKPFYOSBJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.10
Rot. Bonds5

About 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid

2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid (PubChem CID 113463888) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid
PubChem CID113463888
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid
SMILESCC1CC1CNc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C12H16N2O4S/c1-7-4-8(7)6-14-11-3-2-9(19(13,17)18)5-10(11)12(15)16/h2-3,5,7-8,14H,4,6H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyPRILEHKPFYOSBJ-UHFFFAOYSA-N
XLogP1.10
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid
CID 2433199
5-(Piperidine-1-sulfonyl)-2-(pyrrolidin-1-yl)benzoic acid
CID 2565885
3-(Allyl-Phenyl-Sulfamoyl)-Benzoic Acid
CID 2386003
Benzoic acid, 2-(ethylamino)-5-sulfo-
CID 67063
2-(3,5-Dimethylpiperidino)-5-[(phenylsulfonyl)amino]benzoic acid
CID 2804709
2-{[(4-Aminophenyl)sulfonyl]amino}benzoic acid
CID 235965
3-[Butyl(phenyl)sulfamoyl]benzoic acid
CID 2329095
5-(Dimethylsulfamoyl)-2-(morpholin-4-yl)benzoic acid
CID 2512653
N-Benzyl-4-chloro-5-sulfamoylanthranilic acid
CID 688341
Benzoic acid, 2-amino-5-(aminosulfonyl)-
CID 67307
4-Chloro-2-(cyclooctylamino)-5-sulfamoylbenzoic acid
CID 145956924
2-{[3-(1-Azepanylsulfonyl)-4-methylbenzoyl]amino}benzoic acid
CID 1316696

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid?
The IUPAC name of 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid (CID 113463888) is 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid is CC1CC1CNc1ccc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid?
The InChIKey is PRILEHKPFYOSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-7-4-8(7)6-14-11-3-2-9(19(13,17)18)5-10(11)12(15)16/h2-3,5,7-8,14H,4,6H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid?
2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)methylamino]-5-sulfamoylbenzoic acid is sourced from PubChem (CID 113463888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).