4-(dimethylsulfamoylamino)benzoic acid

C9H12N2O4S — CID 653734

IUPAC4-(dimethylsulfamoylamino)benzoic acid
SMILESCN(C)S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H12N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13)
InChIKeyGIHVRYUPCABTQW-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.60
Rot. Bonds4

About 4-(dimethylsulfamoylamino)benzoic acid

4-(dimethylsulfamoylamino)benzoic acid (PubChem CID 653734) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)benzoic acid
PubChem CID653734
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name4-(dimethylsulfamoylamino)benzoic acid
SMILESCN(C)S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H12N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13)
InChIKeyGIHVRYUPCABTQW-UHFFFAOYSA-N
XLogP0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(dimethylsulfamoylamino)benzoate
CID 884458
3-(dimethylsulfamoylamino)-4-methylbenzoic acid
CID 28788003
4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334
1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
CID 112979882
hexyl 4-(dimethylsulfamoylamino)benzoate
CID 110443478
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653
2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760757
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
CID 43624625
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)benzoic acid?
The IUPAC name of 4-(dimethylsulfamoylamino)benzoic acid (CID 653734) is 4-(dimethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 4-(dimethylsulfamoylamino)benzoic acid?
The canonical SMILES for 4-(dimethylsulfamoylamino)benzoic acid is CN(C)S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylsulfamoylamino)benzoic acid?
The InChIKey is GIHVRYUPCABTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h3-6,10H,1-2H3,(H,12,13).
What are the key properties of 4-(dimethylsulfamoylamino)benzoic acid?
4-(dimethylsulfamoylamino)benzoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 653734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).