5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide

C16H14ClN3O5S — CID 25498819

IUPAC5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O5S/c17-10-4-7-15(20(22)23)14(8-10)16(21)18-12-2-1-3-13(9-12)26(24,25)19-11-5-6-11/h1-4,7-9,11,19H,5-6H2,(H,18,21)
InChIKeyVCBLBYKNWDKBDW-UHFFFAOYSA-N
MW395.82 g/mol
LogP2.94
Rot. Bonds6

About 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide

5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide (PubChem CID 25498819) has the molecular formula C16H14ClN3O5S and a molecular weight of 395.82 g/mol. Its IUPAC name is 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide
PubChem CID25498819
Molecular FormulaC16H14ClN3O5S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14ClN3O5S/c17-10-4-7-15(20(22)23)14(8-10)16(21)18-12-2-1-3-13(9-12)26(24,25)19-11-5-6-11/h1-4,7-9,11,19H,5-6H2,(H,18,21)
InChIKeyVCBLBYKNWDKBDW-UHFFFAOYSA-N
XLogP2.94
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 52.94
H-Bond Donors ≤ 52
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

N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
(E)-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 24582350
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide
CID 29304903
5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
CID 119045142
1-(4-chlorophenyl)-N-[3-(cyclopropylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 58866198
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide
CID 46677915
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide (CID 25498819) is 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide?
The InChIKey is VCBLBYKNWDKBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5S/c17-10-4-7-15(20(22)23)14(8-10)16(21)18-12-2-1-3-13(9-12)26(24,25)19-11-5-6-11/h1-4,7-9,11,19H,5-6H2,(H,18,21).
What are the key properties of 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide?
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide has a molecular weight of 395.82 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 25498819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).