1-(phenylcarbamoyl)-4-(sulfinoamino)benzene

C13H12N2O3S — CID 19977257

IUPAC1-(phenylcarbamoyl)-4-(sulfinoamino)benzene
SMILESO=C(Nc1ccccc1)c1ccc(NS(=O)O)cc1
InChIInChI=1S/C13H12N2O3S/c16-13(14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)15-19(17)18/h1-9,15H,(H,14,16)(H,17,18)
InChIKeyOGFBAKJRMGBORM-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.49
Rot. Bonds4

About 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene

1-(phenylcarbamoyl)-4-(sulfinoamino)benzene (PubChem CID 19977257) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-(phenylcarbamoyl)-4-(sulfinoamino)benzene
PubChem CID19977257
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name1-(phenylcarbamoyl)-4-(sulfinoamino)benzene
SMILESO=C(Nc1ccccc1)c1ccc(NS(=O)O)cc1
InChIInChI=1S/C13H12N2O3S/c16-13(14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)15-19(17)18/h1-9,15H,(H,14,16)(H,17,18)
InChIKeyOGFBAKJRMGBORM-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide
CID 3477957
4-(phenylcarbamoyl)benzoate
CID 158012761
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
(4-benzamidophenyl)carbamic acid
CID 18543096
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-[4-(phenylcarbamothioylamino)phenyl]benzamide
CID 17235348
4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
CID 177476151

Frequently Asked Questions

What is the IUPAC name of 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene?
The IUPAC name of 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene (CID 19977257) is 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene.
What is the SMILES notation for 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene?
The canonical SMILES for 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene is O=C(Nc1ccccc1)c1ccc(NS(=O)O)cc1.
What is the InChIKey of 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene?
The InChIKey is OGFBAKJRMGBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-13(14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)15-19(17)18/h1-9,15H,(H,14,16)(H,17,18).
What are the key properties of 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene?
1-(phenylcarbamoyl)-4-(sulfinoamino)benzene has a molecular weight of 276.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylcarbamoyl)-4-(sulfinoamino)benzene is sourced from PubChem (CID 19977257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).