4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C11H12N2O2S2 — CID 791527

IUPAC4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-2-9-3-5-10(6-4-9)17(14,15)13-11-12-7-8-16-11/h3-8H,2H2,1H3,(H,12,13)
InChIKeyZMDVRJVRAQHIDE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.51
Rot. Bonds4

About 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 791527) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID791527
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C11H12N2O2S2/c1-2-9-3-5-10(6-4-9)17(14,15)13-11-12-7-8-16-11/h3-8H,2H2,1H3,(H,12,13)
InChIKeyZMDVRJVRAQHIDE-UHFFFAOYSA-N
XLogP2.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine
CID 653276
N-(4-Thiazolin-2-ylidene)benzenesulfonamide
CID 236564
Mls000757107
CID 324088
N-(5-bromothiazol-2-ylcarbamoyl)-3-methylbenzenesulfonamide
CID 24752501
N-thiazol-2-yl-4-[2-(4-trifluoromethyl-phenyl)-ethanesulfonyl]-benzenesulfonamide
CID 25138300
4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 676567
2,4,6-Trimethyl-N-thiazol-2-yl-benzenesulfonamide
CID 787582
6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide
CID 647437
N-Thiazol-2-YL-3-(toluene-4-sulfonylamino)-propionamide
CID 854185
5-Chloro-4-[(4-methylphenyl)sulfonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole
CID 2136921

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 791527) is 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZMDVRJVRAQHIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-2-9-3-5-10(6-4-9)17(14,15)13-11-12-7-8-16-11/h3-8H,2H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 791527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).