5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide

C18H18FN7O4S — CID 56579283

IUPAC5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1
InChIInChI=1S/C18H18FN7O4S/c1-10-22-24-25-26(10)17-9-13(4-6-15(17)19)21-18(28)14-8-12(20-11(2)27)5-7-16(14)23-31(3,29)30/h4-9,23H,1-3H3,(H,20,27)(H,21,28)
InChIKeyKSFDNZLGVOMYPX-UHFFFAOYSA-N
MW447.45 g/mol
LogP1.69
Rot. Bonds6

About 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide

5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide (PubChem CID 56579283) has the molecular formula C18H18FN7O4S and a molecular weight of 447.45 g/mol. Its IUPAC name is 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide
PubChem CID56579283
Molecular FormulaC18H18FN7O4S
Molecular Weight447.45 g/mol
Exact Mass447.11
IUPAC Name5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1
InChIInChI=1S/C18H18FN7O4S/c1-10-22-24-25-26(10)17-9-13(4-6-15(17)19)21-18(28)14-8-12(20-11(2)27)5-7-16(14)23-31(3,29)30/h4-9,23H,1-3H3,(H,20,27)(H,21,28)
InChIKeyKSFDNZLGVOMYPX-UHFFFAOYSA-N
XLogP1.69
TPSA147.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]-4-(methanesulfonamido)phenyl]acetamide
CID 56516304
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233
N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119313677
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95320054
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide (CID 56579283) is 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1.
What is the InChIKey of 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide?
The InChIKey is KSFDNZLGVOMYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O4S/c1-10-22-24-25-26(10)17-9-13(4-6-15(17)19)21-18(28)14-8-12(20-11(2)27)5-7-16(14)23-31(3,29)30/h4-9,23H,1-3H3,(H,20,27)(H,21,28).
What are the key properties of 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide?
5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide has a molecular weight of 447.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 56579283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).