4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide

C15H16ClN3O4S2 — CID 18291900

IUPAC4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H16ClN3O4S2/c16-12-4-3-10(14(20)19-15-17-5-7-24-15)8-13(12)25(21,22)18-9-11-2-1-6-23-11/h3-5,7-8,11,18H,1-2,6,9H2,(H,17,19,20)
InChIKeyXJGKKYFZVSNYRC-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.51
Rot. Bonds6

About 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide

4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 18291900) has the molecular formula C15H16ClN3O4S2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID18291900
Molecular FormulaC15H16ClN3O4S2
Molecular Weight401.90 g/mol
Exact Mass401.03
IUPAC Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H16ClN3O4S2/c16-12-4-3-10(14(20)19-15-17-5-7-24-15)8-13(12)25(21,22)18-9-11-2-1-6-23-11/h3-5,7-8,11,18H,1-2,6,9H2,(H,17,19,20)
InChIKeyXJGKKYFZVSNYRC-UHFFFAOYSA-N
XLogP2.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55954261
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40917313
4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 52516203
4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55541273
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide (CID 18291900) is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XJGKKYFZVSNYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S2/c16-12-4-3-10(14(20)19-15-17-5-7-24-15)8-13(12)25(21,22)18-9-11-2-1-6-23-11/h3-5,7-8,11,18H,1-2,6,9H2,(H,17,19,20).
What are the key properties of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 401.90 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18291900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).