(4-methylphenyl)sulfonylurea;urea

C9H14N4O4S — CID 160676948

IUPAC(4-methylphenyl)sulfonylurea;urea
SMILESCc1ccc(S(=O)(=O)NC(N)=O)cc1.NC(N)=O
InChIInChI=1S/C8H10N2O3S.CH4N2O/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11;2-1(3)4/h2-5H,1H3,(H3,9,10,11);(H4,2,3,4)
InChIKeyRNQQGKHMADXWJH-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.62
Rot. Bonds2

About (4-methylphenyl)sulfonylurea;urea

(4-methylphenyl)sulfonylurea;urea (PubChem CID 160676948) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is (4-methylphenyl)sulfonylurea;urea.

Molecular Properties

Compound Name(4-methylphenyl)sulfonylurea;urea
PubChem CID160676948
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name(4-methylphenyl)sulfonylurea;urea
SMILESCc1ccc(S(=O)(=O)NC(N)=O)cc1.NC(N)=O
InChIInChI=1S/C8H10N2O3S.CH4N2O/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11;2-1(3)4/h2-5H,1H3,(H3,9,10,11);(H4,2,3,4)
InChIKeyRNQQGKHMADXWJH-UHFFFAOYSA-N
XLogP-0.62
TPSA158.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylidene-N-(4-methylphenyl)sulfonylbutanediamide
CID 54560302
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
1-amino-3-(4-methylphenyl)sulfonylthiourea
CID 91622634
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
(3-methylphenyl)sulfonylurea
CID 46224904
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
aminourea;4-methylbenzenesulfonamide
CID 174801132
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
4-methylbenzenesulfonohydrazide
CID 15303
[4-(difluoromethyl)phenyl]sulfonylurea
CID 172769356
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
CID 134977826

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfonylurea;urea?
The IUPAC name of (4-methylphenyl)sulfonylurea;urea (CID 160676948) is (4-methylphenyl)sulfonylurea;urea.
What is the SMILES notation for (4-methylphenyl)sulfonylurea;urea?
The canonical SMILES for (4-methylphenyl)sulfonylurea;urea is Cc1ccc(S(=O)(=O)NC(N)=O)cc1.NC(N)=O.
What is the InChIKey of (4-methylphenyl)sulfonylurea;urea?
The InChIKey is RNQQGKHMADXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S.CH4N2O/c1-6-2-4-7(5-3-6)14(12,13)10-8(9)11;2-1(3)4/h2-5H,1H3,(H3,9,10,11);(H4,2,3,4).
What are the key properties of (4-methylphenyl)sulfonylurea;urea?
(4-methylphenyl)sulfonylurea;urea has a molecular weight of 274.30 g/mol, XLogP of -0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfonylurea;urea is sourced from PubChem (CID 160676948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).