4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide

C14H21ClN2O3S — CID 65380198

IUPAC4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O3S/c1-4-14(5-2,6-3)17-13(18)10-7-8-11(15)12(9-10)21(16,19)20/h7-9H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyJLSMQSQXHXNSMD-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.69
Rot. Bonds6

About 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide

4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide (PubChem CID 65380198) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
PubChem CID65380198
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
SMILESCCC(CC)(CC)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21ClN2O3S/c1-4-14(5-2,6-3)17-13(18)10-7-8-11(15)12(9-10)21(16,19)20/h7-9H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyJLSMQSQXHXNSMD-UHFFFAOYSA-N
XLogP2.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
3-amino-4-chloro-N-(3-ethylpentan-3-yl)benzamide
CID 65037878
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
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide
CID 10247913
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
CID 22756393
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-chloro-4-hydroxybenzamide
CID 107867994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide (CID 65380198) is 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide is CCC(CC)(CC)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide?
The InChIKey is JLSMQSQXHXNSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-14(5-2,6-3)17-13(18)10-7-8-11(15)12(9-10)21(16,19)20/h7-9H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide?
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65380198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).