2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide

C10H12ClN3O5S — CID 65373812

IUPAC2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide
SMILESCC(C)NC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C10H12ClN3O5S/c1-5(2)13-10(15)7-3-6(14(16)17)4-8(9(7)11)20(12,18)19/h3-5H,1-2H3,(H,13,15)(H2,12,18,19)
InChIKeyRSPJCINIJDQHQH-UHFFFAOYSA-N
MW321.74 g/mol
LogP1.03
Rot. Bonds4

About 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide

2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide (PubChem CID 65373812) has the molecular formula C10H12ClN3O5S and a molecular weight of 321.74 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide
PubChem CID65373812
Molecular FormulaC10H12ClN3O5S
Molecular Weight321.74 g/mol
Exact Mass321.02
IUPAC Name2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide
SMILESCC(C)NC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C10H12ClN3O5S/c1-5(2)13-10(15)7-3-6(14(16)17)4-8(9(7)11)20(12,18)19/h3-5H,1-2H3,(H,13,15)(H2,12,18,19)
InChIKeyRSPJCINIJDQHQH-UHFFFAOYSA-N
XLogP1.03
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 51.03
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-butyl-2-chloro-5-nitro-3-sulfamoylbenzamide
CID 65374407
2-methyl-5-nitro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368839
oxetan-3-yl 2-chloro-5-nitro-3-sulfamoylbenzoate
CID 102608671
2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide
CID 65386412
N-(4-amino-4-oxobutan-2-yl)-2,3-dichloro-5-nitrobenzamide
CID 107189491
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
2,3-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-5-nitrobenzamide
CID 107191723
2-methylpropyl 2-methyl-5-nitro-3-sulfamoylbenzoate
CID 65381054
methyl 3-(bromomethyl)-2-chloro-5-nitrobenzoate
CID 171014420
2-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 107200617
2,3-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-nitrobenzamide
CID 107189107
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide?
The IUPAC name of 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide (CID 65373812) is 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide is CC(C)NC(=O)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide?
The InChIKey is RSPJCINIJDQHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O5S/c1-5(2)13-10(15)7-3-6(14(16)17)4-8(9(7)11)20(12,18)19/h3-5H,1-2H3,(H,13,15)(H2,12,18,19).
What are the key properties of 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide?
2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide has a molecular weight of 321.74 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-propan-2-yl-3-sulfamoylbenzamide is sourced from PubChem (CID 65373812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).