2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid

C13H17NO4S — CID 63955952

IUPAC2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
SMILESCCN(CC1CC1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-2-14(9-10-7-8-10)19(17,18)12-6-4-3-5-11(12)13(15)16/h3-6,10H,2,7-9H2,1H3,(H,15,16)
InChIKeyFPPALEPNIGSAKM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.81
Rot. Bonds6

About 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid

2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid (PubChem CID 63955952) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
PubChem CID63955952
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
SMILESCCN(CC1CC1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-2-14(9-10-7-8-10)19(17,18)12-6-4-3-5-11(12)13(15)16/h3-6,10H,2,7-9H2,1H3,(H,15,16)
InChIKeyFPPALEPNIGSAKM-UHFFFAOYSA-N
XLogP1.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Probenecid
CID 4911
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
2-Sulfamoylbenzoic acid
CID 69436
4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
3-[(4-Methylpiperazin-1-yl)sulfonyl]benzoic acid
CID 1081456
4-(Dimethylsulfamoyl)benzoic acid
CID 14572
4-(Cyclopropylsulfamoyl)benzoic acid
CID 1134151
3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 4280
4-((Dibutylamino)sulfonyl)benzoic acid
CID 11032
3-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 767690
4-Methyl-3-(piperidine-1-sulfonyl)benzoic acid
CID 2057275
3-(Methylsulfamoyl)benzoic acid
CID 252654

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid (CID 63955952) is 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid is CCN(CC1CC1)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid?
The InChIKey is FPPALEPNIGSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-14(9-10-7-8-10)19(17,18)12-6-4-3-5-11(12)13(15)16/h3-6,10H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid?
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63955952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).