phenyl 3-(benzenesulfonamido)-2-chlorobenzoate

C19H14ClNO4S — CID 67598527

IUPACphenyl 3-(benzenesulfonamido)-2-chlorobenzoate
SMILESO=C(Oc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C19H14ClNO4S/c20-18-16(19(22)25-14-8-3-1-4-9-14)12-7-13-17(18)21-26(23,24)15-10-5-2-6-11-15/h1-13,21H
InChIKeyWJMQHHNUAWETGC-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.36
Rot. Bonds5

About phenyl 3-(benzenesulfonamido)-2-chlorobenzoate

phenyl 3-(benzenesulfonamido)-2-chlorobenzoate (PubChem CID 67598527) has the molecular formula C19H14ClNO4S and a molecular weight of 387.84 g/mol. Its IUPAC name is phenyl 3-(benzenesulfonamido)-2-chlorobenzoate.

Molecular Properties

Compound Namephenyl 3-(benzenesulfonamido)-2-chlorobenzoate
PubChem CID67598527
Molecular FormulaC19H14ClNO4S
Molecular Weight387.84 g/mol
Exact Mass387.03
IUPAC Namephenyl 3-(benzenesulfonamido)-2-chlorobenzoate
SMILESO=C(Oc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1Cl
InChIInChI=1S/C19H14ClNO4S/c20-18-16(19(22)25-14-8-3-1-4-9-14)12-7-13-17(18)21-26(23,24)15-10-5-2-6-11-15/h1-13,21H
InChIKeyWJMQHHNUAWETGC-UHFFFAOYSA-N
XLogP4.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
2,6-bis(phenoxycarbonyl)benzenesulfonic acid
CID 150947003
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate
CID 3301854
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
[4-[2-[(4-methylphenyl)sulfonylamino]anilino]phenyl] benzoate
CID 150106631
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(benzenesulfonamido)-2-chlorobenzoate?
The IUPAC name of phenyl 3-(benzenesulfonamido)-2-chlorobenzoate (CID 67598527) is phenyl 3-(benzenesulfonamido)-2-chlorobenzoate.
What is the SMILES notation for phenyl 3-(benzenesulfonamido)-2-chlorobenzoate?
The canonical SMILES for phenyl 3-(benzenesulfonamido)-2-chlorobenzoate is O=C(Oc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1Cl.
What is the InChIKey of phenyl 3-(benzenesulfonamido)-2-chlorobenzoate?
The InChIKey is WJMQHHNUAWETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4S/c20-18-16(19(22)25-14-8-3-1-4-9-14)12-7-13-17(18)21-26(23,24)15-10-5-2-6-11-15/h1-13,21H.
What are the key properties of phenyl 3-(benzenesulfonamido)-2-chlorobenzoate?
phenyl 3-(benzenesulfonamido)-2-chlorobenzoate has a molecular weight of 387.84 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(benzenesulfonamido)-2-chlorobenzoate is sourced from PubChem (CID 67598527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).