5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide

C13H17ClN2O3S — CID 49194436

IUPAC5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NCC1CCC1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16-12-6-5-10(14)7-11(12)13(17)15-8-9-3-2-4-9/h5-7,9,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyRJBDQWCYGKNSQV-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.24
Rot. Bonds5

About 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide

5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide (PubChem CID 49194436) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
PubChem CID49194436
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NCC1CCC1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16-12-6-5-10(14)7-11(12)13(17)15-8-9-3-2-4-9/h5-7,9,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyRJBDQWCYGKNSQV-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63500418
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
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CID 62173260
5-chloro-2-(methanesulfonamido)-N-[2-(methylamino)propyl]benzamide
CID 120831052
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
5-chloro-N-(3-cyclopentyloxyphenyl)-2-(methanesulfonamido)benzamide
CID 47087643
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
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5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide (CID 49194436) is 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NCC1CCC1.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide?
The InChIKey is RJBDQWCYGKNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-20(18,19)16-12-6-5-10(14)7-11(12)13(17)15-8-9-3-2-4-9/h5-7,9,16H,2-4,8H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide?
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide has a molecular weight of 316.81 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 49194436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).