1-chloro-4-(sulfamoylamino)benzene

C6H7ClN2O2S — CID 11321711

IUPAC1-chloro-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C6H7ClN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
InChIKeyQLWNTSQSPPLWEQ-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.96
Rot. Bonds2

About 1-chloro-4-(sulfamoylamino)benzene

1-chloro-4-(sulfamoylamino)benzene (PubChem CID 11321711) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 1-chloro-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-chloro-4-(sulfamoylamino)benzene
PubChem CID11321711
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name1-chloro-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C6H7ClN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11)
InChIKeyQLWNTSQSPPLWEQ-UHFFFAOYSA-N
XLogP0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(sulfamoylamino)benzene?
The IUPAC name of 1-chloro-4-(sulfamoylamino)benzene (CID 11321711) is 1-chloro-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-chloro-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-chloro-4-(sulfamoylamino)benzene is NS(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(sulfamoylamino)benzene?
The InChIKey is QLWNTSQSPPLWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,(H2,8,10,11).
What are the key properties of 1-chloro-4-(sulfamoylamino)benzene?
1-chloro-4-(sulfamoylamino)benzene has a molecular weight of 206.65 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(sulfamoylamino)benzene is sourced from PubChem (CID 11321711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).