4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide

C19H14ClN3O5S — CID 4293951

IUPAC4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O5S/c20-15-4-1-5-16(10-15)29(27,28)18-7-6-14(9-17(18)23(25)26)19(24)22-12-13-3-2-8-21-11-13/h1-11H,12H2,(H,22,24)
InChIKeyYPQRSHMHIJERHK-UHFFFAOYSA-N
MW431.86 g/mol
LogP3.41
Rot. Bonds6

About 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide

4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 4293951) has the molecular formula C19H14ClN3O5S and a molecular weight of 431.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID4293951
Molecular FormulaC19H14ClN3O5S
Molecular Weight431.86 g/mol
Exact Mass431.03
IUPAC Name4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14ClN3O5S/c20-15-4-1-5-16(10-15)29(27,28)18-7-6-14(9-17(18)23(25)26)19(24)22-12-13-3-2-8-21-11-13/h1-11H,12H2,(H,22,24)
InChIKeyYPQRSHMHIJERHK-UHFFFAOYSA-N
XLogP3.41
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethylamino)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 24512537
[4-(3-chlorophenyl)sulfonyl-3-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 4068060
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
N-[(3-chlorophenyl)methyl]-4-(methylamino)-3-nitrobenzamide
CID 9082110
2-[(4-chloro-3-nitrobenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1297726
N-[(3-chlorophenyl)methyl]-4-(2-hydroxyethylamino)-3-nitrobenzamide
CID 9323987
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347968
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 51192594
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725
4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 25349409
3-[[(4-chloro-3-nitrobenzoyl)amino]methyl]benzoic acid
CID 108745366
2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 691924

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide (CID 4293951) is 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YPQRSHMHIJERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5S/c20-15-4-1-5-16(10-15)29(27,28)18-7-6-14(9-17(18)23(25)26)19(24)22-12-13-3-2-8-21-11-13/h1-11H,12H2,(H,22,24).
What are the key properties of 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 431.86 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 4293951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).