5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride

C16H17Cl2FN4O3S — CID 66970183

IUPAC5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H16ClFN4O3S.ClH/c17-10-6-13(16(20)23)15(19)22(8-10)7-9-5-11(18)1-4-14(9)26(24,25)21-12-2-3-12;/h1,4-6,8,12,19,21H,2-3,7H2,(H2,20,23);1H/b19-15-;
InChIKeyCEBMWVKVUXGXAZ-HVENRQQKSA-N
MW435.31 g/mol
LogP1.77
Rot. Bonds6

About 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride

5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride (PubChem CID 66970183) has the molecular formula C16H17Cl2FN4O3S and a molecular weight of 435.31 g/mol. Its IUPAC name is 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride
PubChem CID66970183
Molecular FormulaC16H17Cl2FN4O3S
Molecular Weight435.31 g/mol
Exact Mass434.04
IUPAC Name5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)ccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H16ClFN4O3S.ClH/c17-10-6-13(16(20)23)15(19)22(8-10)7-9-5-11(18)1-4-14(9)26(24,25)21-12-2-3-12;/h1,4-6,8,12,19,21H,2-3,7H2,(H2,20,23);1H/b19-15-;
InChIKeyCEBMWVKVUXGXAZ-HVENRQQKSA-N
XLogP1.77
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride (CID 66970183) is 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride is Cl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)ccc1S(=O)(=O)NC1CC1.
What is the InChIKey of 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The InChIKey is CEBMWVKVUXGXAZ-HVENRQQKSA-N. The full InChI is InChI=1S/C16H16ClFN4O3S.ClH/c17-10-6-13(16(20)23)15(19)22(8-10)7-9-5-11(18)1-4-14(9)26(24,25)21-12-2-3-12;/h1,4-6,8,12,19,21H,2-3,7H2,(H2,20,23);1H/b19-15-;.
What are the key properties of 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride has a molecular weight of 435.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66970183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).