3-(dimethylsulfamoylamino)-4-methylbenzoic acid

C10H14N2O4S — CID 28788003

IUPAC3-(dimethylsulfamoylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H14N2O4S/c1-7-4-5-8(10(13)14)6-9(7)11-17(15,16)12(2)3/h4-6,11H,1-3H3,(H,13,14)
InChIKeyYVQNLTSTKGWEKR-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.91
Rot. Bonds4

About 3-(dimethylsulfamoylamino)-4-methylbenzoic acid

3-(dimethylsulfamoylamino)-4-methylbenzoic acid (PubChem CID 28788003) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-4-methylbenzoic acid
PubChem CID28788003
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-(dimethylsulfamoylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H14N2O4S/c1-7-4-5-8(10(13)14)6-9(7)11-17(15,16)12(2)3/h4-6,11H,1-3H3,(H,13,14)
InChIKeyYVQNLTSTKGWEKR-UHFFFAOYSA-N
XLogP0.91
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969
3-[[butyl(methyl)sulfamoyl]amino]-4-methylbenzoic acid
CID 43351250
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
3-(carboxymethylsulfonylamino)-4-methylbenzoic acid
CID 43715539
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
CID 4635582
3-(dimethylsulfamoylamino)-4-propoxybenzoic acid
CID 110504303
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
3-(dimethylcarbamoylamino)-4-methylbenzoic acid
CID 61196836
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-4-methylbenzoic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)-4-methylbenzoic acid (CID 28788003) is 3-(dimethylsulfamoylamino)-4-methylbenzoic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-4-methylbenzoic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NS(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoylamino)-4-methylbenzoic acid?
The InChIKey is YVQNLTSTKGWEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7-4-5-8(10(13)14)6-9(7)11-17(15,16)12(2)3/h4-6,11H,1-3H3,(H,13,14).
What are the key properties of 3-(dimethylsulfamoylamino)-4-methylbenzoic acid?
3-(dimethylsulfamoylamino)-4-methylbenzoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-4-methylbenzoic acid is sourced from PubChem (CID 28788003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).