1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea

C16H13N3O3S2 — CID 118362143

IUPAC1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nccs1)c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13N3O3S2/c17-15(20)19(16-18-10-11-23-16)13-8-4-5-9-14(13)24(21,22)12-6-2-1-3-7-12/h1-11H,(H2,17,20)
InChIKeyJEPAPZNLXXLEDR-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea

1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea (PubChem CID 118362143) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea
PubChem CID118362143
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nccs1)c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13N3O3S2/c17-15(20)19(16-18-10-11-23-16)13-8-4-5-9-14(13)24(21,22)12-6-2-1-3-7-12/h1-11H,(H2,17,20)
InChIKeyJEPAPZNLXXLEDR-UHFFFAOYSA-N
XLogP3.19
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid
CID 175420366
1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea
CID 174475178
3-(benzenesulfonyl)thiophene-2-carboxylic acid
CID 658001
N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485
1,2-bis(benzenesulfonyl)benzene
CID 19980733
N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 124876257
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
CID 17435397
dimethyl 5-[carbamoyl(1,3-thiazol-2-yl)amino]benzene-1,3-dicarboxylate
CID 54503967
1-[3-(benzenesulfonyl)thiophen-2-yl]-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69139639
2,3-bis(benzenesulfonyl)pyridine
CID 140663815
4-[2-[hydroxy(oxido)amino]phenyl]sulfonylbenzoic acid
CID 21142844
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17455908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea (CID 118362143) is 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea is NC(=O)N(c1nccs1)c1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea?
The InChIKey is JEPAPZNLXXLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c17-15(20)19(16-18-10-11-23-16)13-8-4-5-9-14(13)24(21,22)12-6-2-1-3-7-12/h1-11H,(H2,17,20).
What are the key properties of 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea?
1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea has a molecular weight of 359.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 118362143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).