4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid

C15H21NO4S — CID 79351658

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid
SMILESCC1(C)C(NS(=O)(=O)Cc2ccc(C(=O)O)cc2)C1(C)C
InChIInChI=1S/C15H21NO4S/c1-14(2)13(15(14,3)4)16-21(19,20)9-10-5-7-11(8-6-10)12(17)18/h5-8,13,16H,9H2,1-4H3,(H,17,18)
InChIKeyIEWIXSIAAREKOH-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.24
Rot. Bonds5

About 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid

4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid (PubChem CID 79351658) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid
PubChem CID79351658
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid
SMILESCC1(C)C(NS(=O)(=O)Cc2ccc(C(=O)O)cc2)C1(C)C
InChIInChI=1S/C15H21NO4S/c1-14(2)13(15(14,3)4)16-21(19,20)9-10-5-7-11(8-6-10)12(17)18/h5-8,13,16H,9H2,1-4H3,(H,17,18)
InChIKeyIEWIXSIAAREKOH-UHFFFAOYSA-N
XLogP2.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499045
4-(oxolan-3-ylsulfamoylmethyl)benzoic acid
CID 80716794
4-[(2-ethyl-2-hydroxybutyl)sulfamoylmethyl]benzoic acid
CID 65105756
3-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzenecarbothioamide
CID 79360149
4-(hexan-3-ylsulfamoylmethyl)benzoic acid
CID 62119651
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoylmethyl]benzoic acid
CID 61247158
1-(3-aminophenyl)-N-(2,2,3,3-tetramethylcyclopropyl)methanesulfonamide
CID 79351600
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 64549094
4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 79254320

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid (CID 79351658) is 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid is CC1(C)C(NS(=O)(=O)Cc2ccc(C(=O)O)cc2)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid?
The InChIKey is IEWIXSIAAREKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-14(2)13(15(14,3)4)16-21(19,20)9-10-5-7-11(8-6-10)12(17)18/h5-8,13,16H,9H2,1-4H3,(H,17,18).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid?
4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 79351658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).