2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide

C18H18ClN3O5S — CID 1381657

IUPAC2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H18ClN3O5S/c19-17-8-7-15(28(26,27)21-9-2-1-3-10-21)12-16(17)18(23)20-13-5-4-6-14(11-13)22(24)25/h4-8,11-12H,1-3,9-10H2,(H,20,23)
InChIKeyMKIAXSPJADUMFM-UHFFFAOYSA-N
MW423.88 g/mol
LogP3.68
Rot. Bonds5

About 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 1381657) has the molecular formula C18H18ClN3O5S and a molecular weight of 423.88 g/mol. Its IUPAC name is 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID1381657
Molecular FormulaC18H18ClN3O5S
Molecular Weight423.88 g/mol
Exact Mass423.07
IUPAC Name2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H18ClN3O5S/c19-17-8-7-15(28(26,27)21-9-2-1-3-10-21)12-16(17)18(23)20-13-5-4-6-14(11-13)22(24)25/h4-8,11-12H,1-3,9-10H2,(H,20,23)
InChIKeyMKIAXSPJADUMFM-UHFFFAOYSA-N
XLogP3.68
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759828
2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
CID 3092265
N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1011529
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 99966940
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55563879

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide (CID 1381657) is 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MKIAXSPJADUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S/c19-17-8-7-15(28(26,27)21-9-2-1-3-10-21)12-16(17)18(23)20-13-5-4-6-14(11-13)22(24)25/h4-8,11-12H,1-3,9-10H2,(H,20,23).
What are the key properties of 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 423.88 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1381657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).