4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid

C13H17NO4S — CID 60952320

IUPAC4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
SMILESCN(CC1CC1)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H17NO4S/c1-14(8-10-2-3-10)19(17,18)9-11-4-6-12(7-5-11)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyAKLBMHKGAPKVRV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.56
Rot. Bonds6

About 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid

4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid (PubChem CID 60952320) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
PubChem CID60952320
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
SMILESCN(CC1CC1)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H17NO4S/c1-14(8-10-2-3-10)19(17,18)9-11-4-6-12(7-5-11)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)
InChIKeyAKLBMHKGAPKVRV-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
CID 43362585
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
4-[[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61209581
4-[3-[cyclopropylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119181808
4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid
CID 43528166
4-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 146135367
2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 43656223
4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
CID 105360749
4-[[methyl-[(2-methylcyclopropyl)methyl]sulfamoyl]methyl]benzenecarbothioamide
CID 63865443
4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
CID 43362563
4-[3-[cyclopentylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119183051

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid?
The IUPAC name of 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid (CID 60952320) is 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid?
The canonical SMILES for 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid is CN(CC1CC1)S(=O)(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid?
The InChIKey is AKLBMHKGAPKVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-14(8-10-2-3-10)19(17,18)9-11-4-6-12(7-5-11)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H,15,16).
What are the key properties of 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid?
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid is sourced from PubChem (CID 60952320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).