3-butyl-2-sulfamoylbenzamide

C11H16N2O3S — CID 122670193

IUPAC3-butyl-2-sulfamoylbenzamide
SMILESCCCCc1cccc(C(N)=O)c1S(N)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-2-3-5-8-6-4-7-9(11(12)14)10(8)17(13,15)16/h4,6-7H,2-3,5H2,1H3,(H2,12,14)(H2,13,15,16)
InChIKeySYCXSOCPCZOCTF-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.78
Rot. Bonds5

About 3-butyl-2-sulfamoylbenzamide

3-butyl-2-sulfamoylbenzamide (PubChem CID 122670193) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-butyl-2-sulfamoylbenzamide.

Molecular Properties

Compound Name3-butyl-2-sulfamoylbenzamide
PubChem CID122670193
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-butyl-2-sulfamoylbenzamide
SMILESCCCCc1cccc(C(N)=O)c1S(N)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-2-3-5-8-6-4-7-9(11(12)14)10(8)17(13,15)16/h4,6-7H,2-3,5H2,1H3,(H2,12,14)(H2,13,15,16)
InChIKeySYCXSOCPCZOCTF-UHFFFAOYSA-N
XLogP0.78
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-butylbenzamide
CID 15468173
3-butyl-2-carbamoylbenzoic acid
CID 20544630
3-butyl-2-ethynylbenzamide
CID 87841210
2-octylbenzamide
CID 11148995
3-ethyl-2-methylsulfonylbenzamide;hydrochloride
CID 122516953
2-(2-pentylphenyl)benzamide
CID 174986965
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
2-carbamoyl-6-octadecylbenzoic acid
CID 69046892
2-methyl-3-propylbenzamide
CID 66693156
2-dodecyl-6-hydroxybenzenesulfonic acid
CID 23044763
2-(4-aminooctyl)benzamide
CID 57359484
ethane;hexane;2-hydroxybenzamide
CID 143703157

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-sulfamoylbenzamide?
The IUPAC name of 3-butyl-2-sulfamoylbenzamide (CID 122670193) is 3-butyl-2-sulfamoylbenzamide.
What is the SMILES notation for 3-butyl-2-sulfamoylbenzamide?
The canonical SMILES for 3-butyl-2-sulfamoylbenzamide is CCCCc1cccc(C(N)=O)c1S(N)(=O)=O.
What is the InChIKey of 3-butyl-2-sulfamoylbenzamide?
The InChIKey is SYCXSOCPCZOCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-5-8-6-4-7-9(11(12)14)10(8)17(13,15)16/h4,6-7H,2-3,5H2,1H3,(H2,12,14)(H2,13,15,16).
What are the key properties of 3-butyl-2-sulfamoylbenzamide?
3-butyl-2-sulfamoylbenzamide has a molecular weight of 256.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-sulfamoylbenzamide is sourced from PubChem (CID 122670193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).