4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide

C17H17ClN2O4S — CID 39862672

IUPAC4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-19-16(21)9-11-3-6-13(7-4-11)20-17(22)12-5-8-14(18)15(10-12)25(2,23)24/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUWMYYYHBINDZGJ-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.28
Rot. Bonds5

About 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide

4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide (PubChem CID 39862672) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
PubChem CID39862672
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-19-16(21)9-11-3-6-13(7-4-11)20-17(22)12-5-8-14(18)15(10-12)25(2,23)24/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUWMYYYHBINDZGJ-UHFFFAOYSA-N
XLogP2.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 55891149
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-chloro-3-methylsulfonylbenzamide
CID 30499426
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 87046723
4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
CID 83059203
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide (CID 39862672) is 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide is CNC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
The InChIKey is UWMYYYHBINDZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-19-16(21)9-11-3-6-13(7-4-11)20-17(22)12-5-8-14(18)15(10-12)25(2,23)24/h3-8,10H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide?
4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide has a molecular weight of 380.85 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 39862672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).