3-benzamido-4-methoxybenzenesulfonyl chloride

C14H12ClNO4S — CID 43140030

IUPAC3-benzamido-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c1-20-13-8-7-11(21(15,18)19)9-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyVMFWHDOAVHXMDR-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.88
Rot. Bonds4

About 3-benzamido-4-methoxybenzenesulfonyl chloride

3-benzamido-4-methoxybenzenesulfonyl chloride (PubChem CID 43140030) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-benzamido-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-benzamido-4-methoxybenzenesulfonyl chloride
PubChem CID43140030
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name3-benzamido-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C14H12ClNO4S/c1-20-13-8-7-11(21(15,18)19)9-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyVMFWHDOAVHXMDR-UHFFFAOYSA-N
XLogP2.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
3-[(4-chlorobenzoyl)amino]-4-methoxybenzenesulfonic acid
CID 139946873
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
4-benzamido-2,5-dimethoxybenzenesulfonic acid
CID 102438408
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-benzamido-4-methoxybenzenesulfonyl chloride (CID 43140030) is 3-benzamido-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-benzamido-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-benzamido-4-methoxybenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methoxybenzenesulfonyl chloride?
The InChIKey is VMFWHDOAVHXMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-20-13-8-7-11(21(15,18)19)9-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17).
What are the key properties of 3-benzamido-4-methoxybenzenesulfonyl chloride?
3-benzamido-4-methoxybenzenesulfonyl chloride has a molecular weight of 325.77 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 43140030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).