2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide

C13H20N2O3S — CID 46522108

IUPAC2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-4-5-10(3)15-13(16)12-8-11(19(14,17)18)7-6-9(12)2/h6-8,10H,4-5H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyBGLKOCSKRMANSJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.56
Rot. Bonds5

About 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide

2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide (PubChem CID 46522108) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
PubChem CID46522108
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-4-5-10(3)15-13(16)12-8-11(19(14,17)18)7-6-9(12)2/h6-8,10H,4-5H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyBGLKOCSKRMANSJ-UHFFFAOYSA-N
XLogP1.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
N-hex-1-yn-3-yl-2-methyl-5-sulfamoylbenzamide
CID 103528408
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-fluoro-3-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 81478345
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide (CID 46522108) is 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide is CCCC(C)NC(=O)c1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide?
The InChIKey is BGLKOCSKRMANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-5-10(3)15-13(16)12-8-11(19(14,17)18)7-6-9(12)2/h6-8,10H,4-5H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide?
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 46522108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).