3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide

C14H12Cl2N2O4S — CID 167885122

IUPAC3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
SMILESCS(=O)(=O)c1cccnc1CNC(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O4S/c1-23(21,22)12-3-2-4-17-11(12)7-18-14(20)8-5-9(15)13(19)10(16)6-8/h2-6,19H,7H2,1H3,(H,18,20)
InChIKeyKECFPIQYJUHURQ-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.43
Rot. Bonds4

About 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide

3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide (PubChem CID 167885122) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
PubChem CID167885122
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC Name3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
SMILESCS(=O)(=O)c1cccnc1CNC(=O)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O4S/c1-23(21,22)12-3-2-4-17-11(12)7-18-14(20)8-5-9(15)13(19)10(16)6-8/h2-6,19H,7H2,1H3,(H,18,20)
InChIKeyKECFPIQYJUHURQ-UHFFFAOYSA-N
XLogP2.43
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-N-[(3-methylsulfonyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 167969544
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213
1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea
CID 146090882
4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685
(3-propan-2-ylsulfonyl-2-pyridinyl)methylcarbamic acid
CID 69120624
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
4-chloro-3-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982539
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
CID 24743430
N-[(3-ethyl-2-pyridinyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 82739232
1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 83167952

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide (CID 167885122) is 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide is CS(=O)(=O)c1cccnc1CNC(=O)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
The InChIKey is KECFPIQYJUHURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c1-23(21,22)12-3-2-4-17-11(12)7-18-14(20)8-5-9(15)13(19)10(16)6-8/h2-6,19H,7H2,1H3,(H,18,20).
What are the key properties of 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide?
3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide has a molecular weight of 375.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 167885122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).