(2-propylsulfanylphenyl)sulfonylurea

C10H14N2O3S2 — CID 117059597

IUPAC(2-propylsulfanylphenyl)sulfonylurea
SMILESCCCSc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C10H14N2O3S2/c1-2-7-16-8-5-3-4-6-9(8)17(14,15)12-10(11)13/h3-6H,2,7H2,1H3,(H3,11,12,13)
InChIKeyTVQKBXSSARTNKT-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.55
Rot. Bonds5

About (2-propylsulfanylphenyl)sulfonylurea

(2-propylsulfanylphenyl)sulfonylurea (PubChem CID 117059597) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (2-propylsulfanylphenyl)sulfonylurea.

Molecular Properties

Compound Name(2-propylsulfanylphenyl)sulfonylurea
PubChem CID117059597
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name(2-propylsulfanylphenyl)sulfonylurea
SMILESCCCSc1ccccc1S(=O)(=O)NC(N)=O
InChIInChI=1S/C10H14N2O3S2/c1-2-7-16-8-5-3-4-6-9(8)17(14,15)12-10(11)13/h3-6H,2,7H2,1H3,(H3,11,12,13)
InChIKeyTVQKBXSSARTNKT-UHFFFAOYSA-N
XLogP1.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(propylsulfamoyl)phenyl]sulfanylpropanoic acid
CID 43454517
(2-methylphenyl)sulfonylurea
CID 20975378
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
[2-(hydroxyamino)phenyl]sulfonylurea
CID 174363947
[2-(prop-2-enylamino)phenyl]sulfonylurea
CID 67715537
3-(2-ethylsulfonylphenyl)sulfanylpropan-1-ol
CID 66115181
N-(2-ethylsulfanylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050800
ethane;2-propylsulfanylaniline
CID 143337712
N-[4-(ethylsulfamoyl)phenyl]-2-propylsulfanylbenzamide
CID 17310557
2-(2-aminoethylsulfanyl)benzenesulfonamide
CID 154389901
N-pentan-3-yl-2-propylsulfanylbenzamide
CID 17310486
2-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 66112944

Frequently Asked Questions

What is the IUPAC name of (2-propylsulfanylphenyl)sulfonylurea?
The IUPAC name of (2-propylsulfanylphenyl)sulfonylurea (CID 117059597) is (2-propylsulfanylphenyl)sulfonylurea.
What is the SMILES notation for (2-propylsulfanylphenyl)sulfonylurea?
The canonical SMILES for (2-propylsulfanylphenyl)sulfonylurea is CCCSc1ccccc1S(=O)(=O)NC(N)=O.
What is the InChIKey of (2-propylsulfanylphenyl)sulfonylurea?
The InChIKey is TVQKBXSSARTNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-2-7-16-8-5-3-4-6-9(8)17(14,15)12-10(11)13/h3-6H,2,7H2,1H3,(H3,11,12,13).
What are the key properties of (2-propylsulfanylphenyl)sulfonylurea?
(2-propylsulfanylphenyl)sulfonylurea has a molecular weight of 274.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylsulfanylphenyl)sulfonylurea is sourced from PubChem (CID 117059597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).