N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide

C19H20Cl2N2O3S — CID 1010211

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c20-14-5-10-17(18(21)13-14)19(24)22-15-6-8-16(9-7-15)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyGANZQIODGXGZBW-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.81
Rot. Bonds4

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide (PubChem CID 1010211) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
PubChem CID1010211
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c20-14-5-10-17(18(21)13-14)19(24)22-15-6-8-16(9-7-15)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24)
InChIKeyGANZQIODGXGZBW-UHFFFAOYSA-N
XLogP4.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92681738
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317930
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide (CID 1010211) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide?
The InChIKey is GANZQIODGXGZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-14-5-10-17(18(21)13-14)19(24)22-15-6-8-16(9-7-15)27(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2,(H,22,24).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide has a molecular weight of 427.35 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 1010211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).