3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide

C14H21ClN2O3S — CID 65388795

IUPAC3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O3S/c1-5-8(2)10(4)17-14(18)11-6-12(15)9(3)13(7-11)21(16,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyPUKGVYNJIWLFIT-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.46
Rot. Bonds5

About 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide

3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide (PubChem CID 65388795) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
PubChem CID65388795
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O3S/c1-5-8(2)10(4)17-14(18)11-6-12(15)9(3)13(7-11)21(16,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyPUKGVYNJIWLFIT-UHFFFAOYSA-N
XLogP2.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 65388313
2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370425
3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 81488768
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 81291212
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 65374852

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide (CID 65388795) is 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide is CCC(C)C(C)NC(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is PUKGVYNJIWLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-5-8(2)10(4)17-14(18)11-6-12(15)9(3)13(7-11)21(16,19)20/h6-8,10H,5H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide?
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).