1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea

C10H6BrF2N3O3S2 — CID 24751793

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H6BrF2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)7-2-5(12)1-6(13)3-7/h1-4H,(H2,14,15,16,17)
InChIKeyBXXPVLPVHIQHAU-UHFFFAOYSA-N
MW398.21 g/mol
LogP2.69
Rot. Bonds3

About 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea

1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea (PubChem CID 24751793) has the molecular formula C10H6BrF2N3O3S2 and a molecular weight of 398.21 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea
PubChem CID24751793
Molecular FormulaC10H6BrF2N3O3S2
Molecular Weight398.21 g/mol
Exact Mass396.90
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea
SMILESO=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H6BrF2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)7-2-5(12)1-6(13)3-7/h1-4H,(H2,14,15,16,17)
InChIKeyBXXPVLPVHIQHAU-UHFFFAOYSA-N
XLogP2.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[(2Z)-5-Bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-4-methylbenzenesulfonamide
CID 24751933
n-[(5-Bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
CID 24752215
N-{[(2z)-5-Bromo-1,3-Thiazol-2(3h)-Ylidene]carbamoyl}-3-Chlorobenzenesulfonamide
CID 24780158
N-(5-bromothiazol-2-ylcarbamoyl)-3,5-dimethylbenzenesulfonamide
CID 24751654
N-(5-bromothiazol-2-ylcarbamoyl)-3-isopropylbenzenesulfonamide
CID 24752216
N-(5-bromothiazol-2-ylcarbamoyl)-3-methylbenzenesulfonamide
CID 24752501
4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 676567
2-((4-fluorophenyl)sulfonyl)-N-(thiazol-2-yl)acetamide
CID 7254486
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 2666565
N-(5-bromothiazol-2-ylcarbamoyl)-2-methylbenzenesulfonamide
CID 46225257
N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide
CID 24780313
5-(2,4-Difluorophenyl)sulfinyl-1,3-thiazol-2-amine
CID 15729167

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea (CID 24751793) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea is O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea?
The InChIKey is BXXPVLPVHIQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3O3S2/c11-8-4-14-10(20-8)15-9(17)16-21(18,19)7-2-5(12)1-6(13)3-7/h1-4H,(H2,14,15,16,17).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea has a molecular weight of 398.21 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,5-difluorophenyl)sulfonylurea is sourced from PubChem (CID 24751793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).