N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide

C23H21Cl2N3O3S — CID 66930212

IUPACN-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide
SMILESO=C(NCC1CC1)c1ccc(N(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H21Cl2N3O3S/c24-21-11-10-20(13-22(21)25)32(30,31)28(15-18-3-1-2-12-26-18)19-8-6-17(7-9-19)23(29)27-14-16-4-5-16/h1-3,6-13,16H,4-5,14-15H2,(H,27,29)
InChIKeyZTEVJHWGRRFDSC-UHFFFAOYSA-N
MW490.41 g/mol
LogP4.92
Rot. Bonds8

About N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide

N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide (PubChem CID 66930212) has the molecular formula C23H21Cl2N3O3S and a molecular weight of 490.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide
PubChem CID66930212
Molecular FormulaC23H21Cl2N3O3S
Molecular Weight490.41 g/mol
Exact Mass489.07
IUPAC NameN-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide
SMILESO=C(NCC1CC1)c1ccc(N(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H21Cl2N3O3S/c24-21-11-10-20(13-22(21)25)32(30,31)28(15-18-3-1-2-12-26-18)19-8-6-17(7-9-19)23(29)27-14-16-4-5-16/h1-3,6-13,16H,4-5,14-15H2,(H,27,29)
InChIKeyZTEVJHWGRRFDSC-UHFFFAOYSA-N
XLogP4.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide (CID 66930212) is N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide is O=C(NCC1CC1)c1ccc(N(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide?
The InChIKey is ZTEVJHWGRRFDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3S/c24-21-11-10-20(13-22(21)25)32(30,31)28(15-18-3-1-2-12-26-18)19-8-6-17(7-9-19)23(29)27-14-16-4-5-16/h1-3,6-13,16H,4-5,14-15H2,(H,27,29).
What are the key properties of N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide?
N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide has a molecular weight of 490.41 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[(3,4-dichlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 66930212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).