N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide

C17H19ClN2O3S — CID 9413612

IUPACN-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-17(2,3)12-5-7-13(8-6-12)20-16(21)11-4-9-14(18)15(10-11)24(19,22)23/h4-10H,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyJFMGMALBIBSAMG-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.54
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide

N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide (PubChem CID 9413612) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
PubChem CID9413612
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-17(2,3)12-5-7-13(8-6-12)20-16(21)11-4-9-14(18)15(10-11)24(19,22)23/h4-10H,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyJFMGMALBIBSAMG-UHFFFAOYSA-N
XLogP3.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16569415
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide (CID 9413612) is N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide?
The InChIKey is JFMGMALBIBSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-17(2,3)12-5-7-13(8-6-12)20-16(21)11-4-9-14(18)15(10-11)24(19,22)23/h4-10H,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide?
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide is sourced from PubChem (CID 9413612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).