2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide

C23H23ClN4O3S — CID 2998616

IUPAC2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C23H23ClN4O3S/c24-22-10-9-20(16-21(22)23(29)26-17-18-6-4-5-11-25-18)32(30,31)28-14-12-27(13-15-28)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeySHRPNTGONKJPEG-UHFFFAOYSA-N
MW470.98 g/mol
LogP3.18
Rot. Bonds6

About 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide

2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2998616) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2998616
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC Name2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C23H23ClN4O3S/c24-22-10-9-20(16-21(22)23(29)26-17-18-6-4-5-11-25-18)32(30,31)28-14-12-27(13-15-28)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,26,29)
InChIKeySHRPNTGONKJPEG-UHFFFAOYSA-N
XLogP3.18
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
N-(3-{N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454652
2,6-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11503732
2-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11517722
4-{[(4-Chloro-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-methyl}-N-(1-phenyl-cyclopropyl)-benzamide
CID 44237762
4-{[[(4-chlorophenyl)sulfonyl](pyridin-2-ylmethyl)amino]methyl}-N-(cyclopropylmethyl)benzamide
CID 44253168
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(pyridin-3-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591667
N-(4-chloro-3-(pyridin-2-yl)phenyl)-3-(methylsulfonyl)benzamide
CID 45485696
N-(3-chlorobenzyl)-4-{[[(4-chlorophenyl)sulfonyl](pyridin-2-ylmethyl)amino]methyl}benzamide
CID 46891183
4-[[[4-(4-methylpiperazin-1-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 49850072
4-[[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50914163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 2998616) is 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is SHRPNTGONKJPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c24-22-10-9-20(16-21(22)23(29)26-17-18-6-4-5-11-25-18)32(30,31)28-14-12-27(13-15-28)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,26,29).
What are the key properties of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 470.98 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2998616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).