4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide

C11H15ClN2O4S — CID 70598414

IUPAC4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O4S/c1-11(2,6-15)14-10(16)7-3-4-8(12)9(5-7)19(13,17)18/h3-5,15H,6H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyKLDMNDIBGWYUMK-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.49
Rot. Bonds4

About 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide

4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide (PubChem CID 70598414) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
PubChem CID70598414
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O4S/c1-11(2,6-15)14-10(16)7-3-4-8(12)9(5-7)19(13,17)18/h3-5,15H,6H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyKLDMNDIBGWYUMK-UHFFFAOYSA-N
XLogP0.49
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid
CID 64670702
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide (CID 70598414) is 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide is CC(C)(CO)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is KLDMNDIBGWYUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-11(2,6-15)14-10(16)7-3-4-8(12)9(5-7)19(13,17)18/h3-5,15H,6H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide?
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 70598414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).