1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea

C13H11ClN4O5S — CID 56836513

IUPAC1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C13H11ClN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19)
InChIKeyCNJFJOJOMZLMDA-UHFFFAOYSA-N
MW370.77 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea

1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 56836513) has the molecular formula C13H11ClN4O5S and a molecular weight of 370.77 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID56836513
Molecular FormulaC13H11ClN4O5S
Molecular Weight370.77 g/mol
Exact Mass370.01
IUPAC Name1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1
InChIInChI=1S/C13H11ClN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19)
InChIKeyCNJFJOJOMZLMDA-UHFFFAOYSA-N
XLogP2.54
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 52.54
H-Bond Donors ≤ 53
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

4-{[(3-Nitrophenyl)carbamoyl]amino}benzenesulfonamide
CID 50909907
AI-204/31750036
CID 730672
1-(4-Chloro-2-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 307597
1-[4-[(3,4-Dichlorophenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)urea
CID 2956323
4-{[(2-Fluoro-5-nitroanilino)carbonyl]amino}benzenesulfonamide
CID 311156
1-(4-Chloro-3-nitrophenyl)-3-phenylurea
CID 681326
4-{[(4-Chloro-2-fluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 17250082
1-(4-Chloro-3-nitrophenyl)-3-(diaminomethylidene)urea;ethanesulfonic acid
CID 44531410
1-(3-Nitrophenyl)-3-(3-sulfamoylphenyl)urea
CID 56836443
1-[4-[(3-Chlorophenyl)sulfonylamino]phenyl]-3-(3-nitrophenyl)urea
CID 44203573
1-[4-[(3,4-Dichlorophenyl)sulfonylamino]phenyl]-3-(3-nitrophenyl)urea
CID 44204062
1-(2-Chlorophenyl)-3-(3-nitrophenyl)urea
CID 302788

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea (CID 56836513) is 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is CNJFJOJOMZLMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19).
What are the key properties of 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea?
1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 370.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 56836513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).