N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide

C13H19FN2O4S — CID 65388145

IUPACN-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1cc(F)c(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19FN2O4S/c1-5-8(2)16(3)13(17)9-6-10(14)12(20-4)11(7-9)21(15,18)19/h6-8H,5H2,1-4H3,(H2,15,18,19)
InChIKeyLKDWYNNPGXHHAN-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.35
Rot. Bonds5

About N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide

N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide (PubChem CID 65388145) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
PubChem CID65388145
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC NameN-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1cc(F)c(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19FN2O4S/c1-5-8(2)16(3)13(17)9-6-10(14)12(20-4)11(7-9)21(15,18)19/h6-8H,5H2,1-4H3,(H2,15,18,19)
InChIKeyLKDWYNNPGXHHAN-UHFFFAOYSA-N
XLogP1.35
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993
butan-2-yl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65380012
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65387046
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435
2-ethoxyethyl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65381654
tert-butyl 3-fluoro-4-methoxy-5-sulfamoylbenzoate
CID 65382033
5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65372377
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371862
N-butan-2-yl-N-methyl-2-sulfamoylbenzamide
CID 43273244
ethyl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 43381750
N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65386227

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide (CID 65388145) is N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide is CCC(C)N(C)C(=O)c1cc(F)c(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
The InChIKey is LKDWYNNPGXHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-5-8(2)16(3)13(17)9-6-10(14)12(20-4)11(7-9)21(15,18)19/h6-8H,5H2,1-4H3,(H2,15,18,19).
What are the key properties of N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide?
N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65388145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).