(3-methylphenyl)sulfonylazanide

C7H8NO2S- — CID 158627668

IUPAC(3-methylphenyl)sulfonylazanide
SMILESCc1cccc(S([NH-])(=O)=O)c1
InChIInChI=1S/C7H8NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H-,8,9,10)/q-1
InChIKeyHYUGYVODACISMU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.74
Rot. Bonds1

About (3-methylphenyl)sulfonylazanide

(3-methylphenyl)sulfonylazanide (PubChem CID 158627668) has the molecular formula C7H8NO2S- and a molecular weight of 170.21 g/mol. Its IUPAC name is (3-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Name(3-methylphenyl)sulfonylazanide
PubChem CID158627668
Molecular FormulaC7H8NO2S-
Molecular Weight170.21 g/mol
Exact Mass170.03
IUPAC Name(3-methylphenyl)sulfonylazanide
SMILESCc1cccc(S([NH-])(=O)=O)c1
InChIInChI=1S/C7H8NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H-,8,9,10)/q-1
InChIKeyHYUGYVODACISMU-UHFFFAOYSA-N
XLogP1.74
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbenzenesulfonamide
CID 69347063
sodium 3-methylbenzenesulfonate
CID 23684709
methyl-(3-methylphenyl)sulfonylazanide
CID 59280538
1-methyl-3-(trichloromethylsulfonyl)benzene
CID 21412940
1-ethenylsulfonyl-3-methylbenzene
CID 62950196
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-chloro-3-methylbenzenesulfonamide
CID 18672211
N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
CID 117036397
isocyanic acid;1-methyl-3-methylsulfonylbenzene
CID 159682691
3-(3-methylphenyl)sulfonylphenol
CID 134285490
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
sulfuric acid;1,3-xylene
CID 70361760

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)sulfonylazanide?
The IUPAC name of (3-methylphenyl)sulfonylazanide (CID 158627668) is (3-methylphenyl)sulfonylazanide.
What is the SMILES notation for (3-methylphenyl)sulfonylazanide?
The canonical SMILES for (3-methylphenyl)sulfonylazanide is Cc1cccc(S([NH-])(=O)=O)c1.
What is the InChIKey of (3-methylphenyl)sulfonylazanide?
The InChIKey is HYUGYVODACISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H-,8,9,10)/q-1.
What are the key properties of (3-methylphenyl)sulfonylazanide?
(3-methylphenyl)sulfonylazanide has a molecular weight of 170.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)sulfonylazanide is sourced from PubChem (CID 158627668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).