1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene

C7H8ClN3O4S — CID 104668379

IUPAC1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C7H8ClN3O4S/c1-4-2-7(11(12)13)5(8)3-6(4)10-16(9,14)15/h2-3,10H,1H3,(H2,9,14,15)
InChIKeyFWVNHWQIOMIETO-UHFFFAOYSA-N
MW265.68 g/mol
LogP1.17
Rot. Bonds3

About 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene

1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene (PubChem CID 104668379) has the molecular formula C7H8ClN3O4S and a molecular weight of 265.68 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene
PubChem CID104668379
Molecular FormulaC7H8ClN3O4S
Molecular Weight265.68 g/mol
Exact Mass264.99
IUPAC Name1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NS(N)(=O)=O
InChIInChI=1S/C7H8ClN3O4S/c1-4-2-7(11(12)13)5(8)3-6(4)10-16(9,14)15/h2-3,10H,1H3,(H2,9,14,15)
InChIKeyFWVNHWQIOMIETO-UHFFFAOYSA-N
XLogP1.17
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 104667866
N'-(5-chloro-2-methyl-4-nitrophenyl)-N-methylethane-1,2-diamine
CID 115556069
2-(5-chloro-2-methyl-4-nitroanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107849353
4-(5-chloro-2-methyl-4-nitroanilino)butanamide
CID 115555717
5-chloro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitroaniline
CID 102913843
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
N-(5-chloro-2-methyl-4-nitrophenyl)-2,2,2-trifluoroacetamide
CID 17334923
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
CID 113439011
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
methyl 2-(5-chloro-2-methyl-4-nitroanilino)-3-hydroxypropanoate
CID 113334612

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene?
The IUPAC name of 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene (CID 104668379) is 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene.
What is the SMILES notation for 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene?
The canonical SMILES for 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene is Cc1cc([N+](=O)[O-])c(Cl)cc1NS(N)(=O)=O.
What is the InChIKey of 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene?
The InChIKey is FWVNHWQIOMIETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O4S/c1-4-2-7(11(12)13)5(8)3-6(4)10-16(9,14)15/h2-3,10H,1H3,(H2,9,14,15).
What are the key properties of 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene?
1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene has a molecular weight of 265.68 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-nitro-5-(sulfamoylamino)benzene is sourced from PubChem (CID 104668379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).