N-butan-2-yl-4-methyl-3-sulfamoylbenzamide

C12H18N2O3S — CID 60681995

IUPACN-butan-2-yl-4-methyl-3-sulfamoylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-4-9(3)14-12(15)10-6-5-8(2)11(7-10)18(13,16)17/h5-7,9H,4H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyURHOXZBXXAKZQO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.17
Rot. Bonds4

About N-butan-2-yl-4-methyl-3-sulfamoylbenzamide

N-butan-2-yl-4-methyl-3-sulfamoylbenzamide (PubChem CID 60681995) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-butan-2-yl-4-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-methyl-3-sulfamoylbenzamide
PubChem CID60681995
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-butan-2-yl-4-methyl-3-sulfamoylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-4-9(3)14-12(15)10-6-5-8(2)11(7-10)18(13,16)17/h5-7,9H,4H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyURHOXZBXXAKZQO-UHFFFAOYSA-N
XLogP1.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855003
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65374785
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
5-(heptan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65371017
[4-(butan-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate
CID 3524001
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methyl-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729503
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 5141734
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-4-methyl-3-sulfamoylbenzamide (CID 60681995) is N-butan-2-yl-4-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-4-methyl-3-sulfamoylbenzamide is CCC(C)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of N-butan-2-yl-4-methyl-3-sulfamoylbenzamide?
The InChIKey is URHOXZBXXAKZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-9(3)14-12(15)10-6-5-8(2)11(7-10)18(13,16)17/h5-7,9H,4H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-butan-2-yl-4-methyl-3-sulfamoylbenzamide?
N-butan-2-yl-4-methyl-3-sulfamoylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 60681995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).