3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide

C14H21ClN2O4S — CID 78856600

IUPAC3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21ClN2O4S/c1-9(8-18)16-13(19)10-5-6-11(15)12(7-10)22(20,21)17-14(2,3)4/h5-7,9,17-18H,8H2,1-4H3,(H,16,19)
InChIKeyAOUUKDCWFZUORM-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.53
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide

3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 78856600) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID78856600
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H21ClN2O4S/c1-9(8-18)16-13(19)10-5-6-11(15)12(7-10)22(20,21)17-14(2,3)4/h5-7,9,17-18H,8H2,1-4H3,(H,16,19)
InChIKeyAOUUKDCWFZUORM-UHFFFAOYSA-N
XLogP1.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
3-(tert-butylsulfamoyl)-4-chloro-N-(2,4-difluorophenyl)benzamide
CID 34827235
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 30977305
4-chloro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]benzoic acid
CID 79254529
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398326
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 38207231
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
3-(tert-butylsulfamoyl)-4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043611

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide (CID 78856600) is 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is AOUUKDCWFZUORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-9(8-18)16-13(19)10-5-6-11(15)12(7-10)22(20,21)17-14(2,3)4/h5-7,9,17-18H,8H2,1-4H3,(H,16,19).
What are the key properties of 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide?
3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 348.85 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 78856600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).