N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide

C10H11ClN4O5S — CID 136560883

IUPACN-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide
SMILESNS(=O)(=O)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C10H11ClN4O5S/c11-8-3-6(15(17)18)1-2-9(8)13-10(16)14-4-7(5-14)21(12,19)20/h1-3,7H,4-5H2,(H,13,16)(H2,12,19,20)
InChIKeyLETAITSHSRRTOX-UHFFFAOYSA-N
MW334.74 g/mol
LogP0.75
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide

N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide (PubChem CID 136560883) has the molecular formula C10H11ClN4O5S and a molecular weight of 334.74 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide
PubChem CID136560883
Molecular FormulaC10H11ClN4O5S
Molecular Weight334.74 g/mol
Exact Mass334.01
IUPAC NameN-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide
SMILESNS(=O)(=O)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C10H11ClN4O5S/c11-8-3-6(15(17)18)1-2-9(8)13-10(16)14-4-7(5-14)21(12,19)20/h1-3,7H,4-5H2,(H,13,16)(H2,12,19,20)
InChIKeyLETAITSHSRRTOX-UHFFFAOYSA-N
XLogP0.75
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 50.75
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

1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
CID 65464856
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
2-hydroxyethyl N-(2-chloro-4-nitrophenyl)carbamate
CID 79345171
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CID 60868352
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136
N-(2-chloro-4-nitrophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 111102185
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
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CID 4576199

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide (CID 136560883) is N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide is NS(=O)(=O)C1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide?
The InChIKey is LETAITSHSRRTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O5S/c11-8-3-6(15(17)18)1-2-9(8)13-10(16)14-4-7(5-14)21(12,19)20/h1-3,7H,4-5H2,(H,13,16)(H2,12,19,20).
What are the key properties of N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide?
N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide has a molecular weight of 334.74 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-3-sulfamoylazetidine-1-carboxamide is sourced from PubChem (CID 136560883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).