(3-methylphenyl)sulfonylurea

C8H10N2O3S — CID 46224904

IUPAC(3-methylphenyl)sulfonylurea
SMILESCc1cccc(S(=O)(=O)NC(N)=O)c1
InChIInChI=1S/C8H10N2O3S/c1-6-3-2-4-7(5-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyTYMBLCCPQXGEHE-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.35
Rot. Bonds2

About (3-methylphenyl)sulfonylurea

(3-methylphenyl)sulfonylurea (PubChem CID 46224904) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is (3-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name(3-methylphenyl)sulfonylurea
PubChem CID46224904
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name(3-methylphenyl)sulfonylurea
SMILESCc1cccc(S(=O)(=O)NC(N)=O)c1
InChIInChI=1S/C8H10N2O3S/c1-6-3-2-4-7(5-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyTYMBLCCPQXGEHE-UHFFFAOYSA-N
XLogP0.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(3-methylphenyl)sulfonylpropanamide
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(3-chlorophenyl)sulfonylurea
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CID 38112845
N-chloro-3-methylbenzenesulfonamide
CID 18672211
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(3-methylphenyl)sulfonylfuran-2-carboxamide
CID 47130299
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
1-(3-methylphenyl)sulfonyl-3-[6-[(3-methylphenyl)sulfonylcarbamoylamino]hex-3-ynyl]urea
CID 24964016
3-[(3-methylphenyl)sulfonylcarbamoylamino]benzoic acid
CID 90959101
3-methylbenzenesulfonamide
CID 69347063
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)sulfonylurea?
The IUPAC name of (3-methylphenyl)sulfonylurea (CID 46224904) is (3-methylphenyl)sulfonylurea.
What is the SMILES notation for (3-methylphenyl)sulfonylurea?
The canonical SMILES for (3-methylphenyl)sulfonylurea is Cc1cccc(S(=O)(=O)NC(N)=O)c1.
What is the InChIKey of (3-methylphenyl)sulfonylurea?
The InChIKey is TYMBLCCPQXGEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-6-3-2-4-7(5-6)14(12,13)10-8(9)11/h2-5H,1H3,(H3,9,10,11).
What are the key properties of (3-methylphenyl)sulfonylurea?
(3-methylphenyl)sulfonylurea has a molecular weight of 214.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)sulfonylurea is sourced from PubChem (CID 46224904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).