2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide

C20H22ClN3O5S — CID 56511851

IUPAC2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)N3CCC(CO)CC3)c2)c1
InChIInChI=1S/C20H22ClN3O5S/c21-18-5-4-16(30(22,28)29)11-17(18)19(26)23-15-3-1-2-14(10-15)20(27)24-8-6-13(12-25)7-9-24/h1-5,10-11,13,25H,6-9,12H2,(H,23,26)(H2,22,28,29)
InChIKeyCEQQOYOAAMMBNH-UHFFFAOYSA-N
MW451.93 g/mol
LogP2.08
Rot. Bonds5

About 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide

2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide (PubChem CID 56511851) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide
PubChem CID56511851
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)N3CCC(CO)CC3)c2)c1
InChIInChI=1S/C20H22ClN3O5S/c21-18-5-4-16(30(22,28)29)11-17(18)19(26)23-15-3-1-2-14(10-15)20(27)24-8-6-13(12-25)7-9-24/h1-5,10-11,13,25H,6-9,12H2,(H,23,26)(H2,22,28,29)
InChIKeyCEQQOYOAAMMBNH-UHFFFAOYSA-N
XLogP2.08
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
2-(2-chlorophenyl)-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 56510698
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-4-pyrrol-1-ylbenzamide
CID 56511594
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 110931885
(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
N-[3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 17391677
N-[3-(4-tert-butylbenzoyl)phenyl]-2-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 99951227
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide (CID 56511851) is 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C(=O)N3CCC(CO)CC3)c2)c1.
What is the InChIKey of 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide?
The InChIKey is CEQQOYOAAMMBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c21-18-5-4-16(30(22,28)29)11-17(18)19(26)23-15-3-1-2-14(10-15)20(27)24-8-6-13(12-25)7-9-24/h1-5,10-11,13,25H,6-9,12H2,(H,23,26)(H2,22,28,29).
What are the key properties of 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide?
2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide has a molecular weight of 451.93 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 56511851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).