N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide

C22H23N3O5S — CID 21310829

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C)cc(C)cc2C(=O)NO)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-11-16(2)21(20(12-15)22(26)24-27)25(14-17-5-4-10-23-13-17)31(28,29)19-8-6-18(30-3)7-9-19/h4-13,27H,14H2,1-3H3,(H,24,26)
InChIKeyCBLOGBROLDHLEE-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.22
Rot. Bonds7

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide (PubChem CID 21310829) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide
PubChem CID21310829
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C)cc(C)cc2C(=O)NO)cc1
InChIInChI=1S/C22H23N3O5S/c1-15-11-16(2)21(20(12-15)22(26)24-27)25(14-17-5-4-10-23-13-17)31(28,29)19-8-6-18(30-3)7-9-19/h4-13,27H,14H2,1-3H3,(H,24,26)
InChIKeyCBLOGBROLDHLEE-UHFFFAOYSA-N
XLogP3.22
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
Way-151693
CID 4368
4-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-8-(trifluoromethyl)quinoline-3-carboxamide
CID 10119294
4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-7-trifluoromethyl-quinoline-3-carboxylic acid hydroxyamide
CID 10230286
3-Furan-2-yl-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-5-methyl-benzamide
CID 21310790
N-hydroxy-4-(N-methyl-4-(pyridin-4-yloxy)phenylsulfonamido)quinoline-3-carboxamide
CID 10321516
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-5-naphthalen-2-yl-benzamide
CID 44309329
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-[3-(trifluoromethyl)phenyl]benzamide
CID 44309330
N-hydroxy-8-iodo-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide
CID 9808594
(R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl-3-(pyridin-3-yl)propanamide
CID 9903007
5-Bromo-N-hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-benzamide
CID 9914147
4-(N-benzyl-4-methoxyphenylsulfonamido)-7-bromo-N-hydroxyquinoline-3-carboxamide
CID 10119730

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide (CID 21310829) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C)cc(C)cc2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide?
The InChIKey is CBLOGBROLDHLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-15-11-16(2)21(20(12-15)22(26)24-27)25(14-17-5-4-10-23-13-17)31(28,29)19-8-6-18(30-3)7-9-19/h4-13,27H,14H2,1-3H3,(H,24,26).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide has a molecular weight of 441.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzamide is sourced from PubChem (CID 21310829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).