4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide

C19H13Cl2NOS — CID 12734406

IUPAC4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NOS/c20-14-3-1-13(2-4-14)19(23)22-16-7-11-18(12-8-16)24-17-9-5-15(21)6-10-17/h1-12H,(H,22,23)
InChIKeyHWYOPWKQRPRPKQ-UHFFFAOYSA-N
MW374.29 g/mol
LogP6.40
Rot. Bonds4

About 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide

4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide (PubChem CID 12734406) has the molecular formula C19H13Cl2NOS and a molecular weight of 374.29 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
PubChem CID12734406
Molecular FormulaC19H13Cl2NOS
Molecular Weight374.29 g/mol
Exact Mass373.01
IUPAC Name4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2NOS/c20-14-3-1-13(2-4-14)19(23)22-16-7-11-18(12-8-16)24-17-9-5-15(21)6-10-17/h1-12H,(H,22,23)
InChIKeyHWYOPWKQRPRPKQ-UHFFFAOYSA-N
XLogP6.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.29
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62166017
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CID 134119182
N-(4-chlorophenyl)benzamide;hydrochloride
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4-(chloromethyl)-N-(4-chlorophenyl)benzamide
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N-(4-anilinophenyl)-4-chlorobenzamide
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N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfanylmethyl]prop-2-enoic acid
CID 11439434
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
N-(4-chlorophenyl)-4-(iodomethyl)benzamide
CID 147537522
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-(4-chlorophenyl)carbamothioate
CID 4623956

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide (CID 12734406) is 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide is O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide?
The InChIKey is HWYOPWKQRPRPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NOS/c20-14-3-1-13(2-4-14)19(23)22-16-7-11-18(12-8-16)24-17-9-5-15(21)6-10-17/h1-12H,(H,22,23).
What are the key properties of 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide?
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide has a molecular weight of 374.29 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide is sourced from PubChem (CID 12734406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).