N-butan-2-yl-N-methyl-2-sulfamoylbenzamide

C12H18N2O3S — CID 43273244

IUPACN-butan-2-yl-N-methyl-2-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-4-9(2)14(3)12(15)10-7-5-6-8-11(10)18(13,16)17/h5-9H,4H2,1-3H3,(H2,13,16,17)
InChIKeyYCMYNKKRNKCHOP-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.20
Rot. Bonds4

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

N-butan-2-yl-N-methyl-2-sulfamoylbenzamide (PubChem CID 43273244) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-sulfamoylbenzamide
PubChem CID43273244
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-butan-2-yl-N-methyl-2-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-4-9(2)14(3)12(15)10-7-5-6-8-11(10)18(13,16)17/h5-9H,4H2,1-3H3,(H2,13,16,17)
InChIKeyYCMYNKKRNKCHOP-UHFFFAOYSA-N
XLogP1.20
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553452
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993
N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65386227
N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-N-methyl-2-sulfamoylbenzamide (CID 43273244) is N-butan-2-yl-N-methyl-2-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-N-methyl-2-sulfamoylbenzamide is CCC(C)N(C)C(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of N-butan-2-yl-N-methyl-2-sulfamoylbenzamide?
The InChIKey is YCMYNKKRNKCHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-9(2)14(3)12(15)10-7-5-6-8-11(10)18(13,16)17/h5-9H,4H2,1-3H3,(H2,13,16,17).
What are the key properties of N-butan-2-yl-N-methyl-2-sulfamoylbenzamide?
N-butan-2-yl-N-methyl-2-sulfamoylbenzamide has a molecular weight of 270.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-sulfamoylbenzamide is sourced from PubChem (CID 43273244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).