potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride

C12H11Cl2KN2O5S — CID 138402493

IUPACpotassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl.[K+]
InChIInChI=1S/C12H11ClN2O5S.ClH.K/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1H;/q;;+1/p-1
InChIKeyOBQXJHXAVCXBHK-UHFFFAOYSA-M
MW405.30 g/mol
LogP-2.02
Rot. Bonds5

About potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride

potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride (PubChem CID 138402493) has the molecular formula C12H11Cl2KN2O5S and a molecular weight of 405.30 g/mol. Its IUPAC name is potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride.

Molecular Properties

Compound Namepotassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
PubChem CID138402493
Molecular FormulaC12H11Cl2KN2O5S
Molecular Weight405.30 g/mol
Exact Mass403.94
IUPAC Namepotassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
SMILESCl.NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl.[K+]
InChIInChI=1S/C12H11ClN2O5S.ClH.K/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1H;/q;;+1/p-1
InChIKeyOBQXJHXAVCXBHK-UHFFFAOYSA-M
XLogP-2.02
TPSA125.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 68522905
CID 68522905
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
S-[3-(dimethylamino)propyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate
CID 46853545
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
4-chloro-2-(furan-2-ylmethylamino)-N-(2-piperidin-1-ylethyl)-5-sulfamoylbenzamide
CID 66628217
5-aminoperoxysulfanyl-4-chloro-2-(furan-2-ylmethylamino)benzoate;1-[5-aminoperoxysulfanyl-4-chloro-2-(furan-2-ylmethylamino)phenyl]ethanone
CID 91223273
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;2-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxyacetic acid;(2-ethoxy-2-oxoethyl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;ethyl 2-bromoacetate
CID 162125317
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068

Frequently Asked Questions

What is the IUPAC name of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride?
The IUPAC name of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride (CID 138402493) is potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride.
What is the SMILES notation for potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride?
The canonical SMILES for potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride is Cl.NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl.[K+].
What is the InChIKey of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride?
The InChIKey is OBQXJHXAVCXBHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11ClN2O5S.ClH.K/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1H;/q;;+1/p-1.
What are the key properties of potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride?
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride has a molecular weight of 405.30 g/mol, XLogP of -2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride is sourced from PubChem (CID 138402493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).