4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide

C19H25ClN4O4S — CID 66628217

IUPAC4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCN2CCCCC2)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C19H25ClN4O4S/c20-16-12-17(23-13-14-5-4-10-28-14)15(11-18(16)29(21,26)27)19(25)22-6-9-24-7-2-1-3-8-24/h4-5,10-12,23H,1-3,6-9,13H2,(H,22,25)(H2,21,26,27)
InChIKeyWWQSZCVBDIXBHE-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.41
Rot. Bonds8

About 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide

4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide (PubChem CID 66628217) has the molecular formula C19H25ClN4O4S and a molecular weight of 440.95 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
PubChem CID66628217
Molecular FormulaC19H25ClN4O4S
Molecular Weight440.95 g/mol
Exact Mass440.13
IUPAC Name4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCN2CCCCC2)c(NCc2ccco2)cc1Cl
InChIInChI=1S/C19H25ClN4O4S/c20-16-12-17(23-13-14-5-4-10-28-14)15(11-18(16)29(21,26)27)19(25)22-6-9-24-7-2-1-3-8-24/h4-5,10-12,23H,1-3,6-9,13H2,(H,22,25)(H2,21,26,27)
InChIKeyWWQSZCVBDIXBHE-UHFFFAOYSA-N
XLogP2.41
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 68522905
CID 68522905
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207
2-chloro-4-(furan-2-ylmethylamino)-5-(imidazole-1-carbonyl)benzenesulfonamide
CID 58344429
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;(2S)-2,6-diaminohexanoic acid
CID 18649645
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
5-aminosulfanyl-4-chloro-2-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)benzamide;ethane
CID 143014238
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
S-[3-(dimethylamino)propyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate
CID 46853545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide (CID 66628217) is 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCCN2CCCCC2)c(NCc2ccco2)cc1Cl.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
The InChIKey is WWQSZCVBDIXBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O4S/c20-16-12-17(23-13-14-5-4-10-28-14)15(11-18(16)29(21,26)27)19(25)22-6-9-24-7-2-1-3-8-24/h4-5,10-12,23H,1-3,6-9,13H2,(H,22,25)(H2,21,26,27).
What are the key properties of 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide?
4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide has a molecular weight of 440.95 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 66628217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).