2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide

C16H18ClN3O4S — CID 126508711

IUPAC2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24)
InChIKeyJHJVKSXZTYMHHX-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.32
Rot. Bonds7

About 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide

2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide (PubChem CID 126508711) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
PubChem CID126508711
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24)
InChIKeyJHJVKSXZTYMHHX-UHFFFAOYSA-N
XLogP1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide (CID 126508711) is 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCCO)c(NCc2ccccc2)cc1Cl.
What is the InChIKey of 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
The InChIKey is JHJVKSXZTYMHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c17-13-9-14(20-10-11-4-2-1-3-5-11)12(16(22)19-6-7-21)8-15(13)25(18,23)24/h1-5,8-9,20-21H,6-7,10H2,(H,19,22)(H2,18,23,24).
What are the key properties of 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide?
2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide has a molecular weight of 383.86 g/mol, XLogP of 1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 126508711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).