benzene-1,4-dicarboxamide;benzenesulfonyl chloride

C14H13ClN2O4S — CID 175228763

IUPACbenzene-1,4-dicarboxamide;benzenesulfonyl chloride
SMILESNC(=O)c1ccc(C(N)=O)cc1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C8H8N2O2.C6H5ClO2S/c9-7(11)5-1-2-6(4-3-5)8(10)12;7-10(8,9)6-4-2-1-3-5-6/h1-4H,(H2,9,11)(H2,10,12);1-5H
InChIKeyNQBGNAYAUMNPRE-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.50
Rot. Bonds3

About benzene-1,4-dicarboxamide;benzenesulfonyl chloride

benzene-1,4-dicarboxamide;benzenesulfonyl chloride (PubChem CID 175228763) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is benzene-1,4-dicarboxamide;benzenesulfonyl chloride.

Molecular Properties

Compound Namebenzene-1,4-dicarboxamide;benzenesulfonyl chloride
PubChem CID175228763
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Namebenzene-1,4-dicarboxamide;benzenesulfonyl chloride
SMILESNC(=O)c1ccc(C(N)=O)cc1.O=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C8H8N2O2.C6H5ClO2S/c9-7(11)5-1-2-6(4-3-5)8(10)12;7-10(8,9)6-4-2-1-3-5-6/h1-4H,(H2,9,11)(H2,10,12);1-5H
InChIKeyNQBGNAYAUMNPRE-UHFFFAOYSA-N
XLogP1.50
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;benzenesulfonyl chloride
CID 87647314
benzenesulfonyl chloride;iron
CID 174954068
benzamide;hydron
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CID 67738089
CID 67738089
benzamide;ethene
CID 143479548
3-carbamoyl-5-chlorosulfonylbenzoic acid
CID 43363041
acetyl chloride;benzamide
CID 160666659
benzamide;pyrazine
CID 67119172
benzamide;2,2,2-trichloroacetic acid
CID 70538723
benzamide;pyridine-4-carboxamide
CID 175267661
4-carbamoylbenzenesulfonyl fluoride
CID 54079384
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-dicarboxamide;benzenesulfonyl chloride?
The IUPAC name of benzene-1,4-dicarboxamide;benzenesulfonyl chloride (CID 175228763) is benzene-1,4-dicarboxamide;benzenesulfonyl chloride.
What is the SMILES notation for benzene-1,4-dicarboxamide;benzenesulfonyl chloride?
The canonical SMILES for benzene-1,4-dicarboxamide;benzenesulfonyl chloride is NC(=O)c1ccc(C(N)=O)cc1.O=S(=O)(Cl)c1ccccc1.
What is the InChIKey of benzene-1,4-dicarboxamide;benzenesulfonyl chloride?
The InChIKey is NQBGNAYAUMNPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C6H5ClO2S/c9-7(11)5-1-2-6(4-3-5)8(10)12;7-10(8,9)6-4-2-1-3-5-6/h1-4H,(H2,9,11)(H2,10,12);1-5H.
What are the key properties of benzene-1,4-dicarboxamide;benzenesulfonyl chloride?
benzene-1,4-dicarboxamide;benzenesulfonyl chloride has a molecular weight of 340.79 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-dicarboxamide;benzenesulfonyl chloride is sourced from PubChem (CID 175228763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).