N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide

C19H23ClN6O3S — CID 53077742

IUPACN-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H23ClN6O3S/c1-3-25(4-2)30(28,29)15-8-9-17-16(12-15)23-24-26(17)11-5-6-19(27)22-18-10-7-14(20)13-21-18/h7-10,12-13H,3-6,11H2,1-2H3,(H,21,22,27)
InChIKeyNWNBCULNIUEMDN-UHFFFAOYSA-N
MW450.95 g/mol
LogP2.93
Rot. Bonds9

About N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide

N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide (PubChem CID 53077742) has the molecular formula C19H23ClN6O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide
PubChem CID53077742
Molecular FormulaC19H23ClN6O3S
Molecular Weight450.95 g/mol
Exact Mass450.12
IUPAC NameN-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H23ClN6O3S/c1-3-25(4-2)30(28,29)15-8-9-17-16(12-15)23-24-26(17)11-5-6-19(27)22-18-10-7-14(20)13-21-18/h7-10,12-13H,3-6,11H2,1-2H3,(H,21,22,27)
InChIKeyNWNBCULNIUEMDN-UHFFFAOYSA-N
XLogP2.93
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064515
N-(4-acetamidophenyl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064568
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46320685
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-(4-fluorophenyl)propanamide
CID 53064527
methyl 4-chloro-2-[2-[5-(diethylsulfamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53085096
N,N-diethyl-1-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]benzotriazole-5-sulfonamide
CID 53077787
N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077664
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064544
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53064559
1-[(2R)-butan-2-yl]-3-[2-[5-(diethylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 95086558
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609829
N-ethyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077659

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide (CID 53077742) is N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide?
The InChIKey is NWNBCULNIUEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O3S/c1-3-25(4-2)30(28,29)15-8-9-17-16(12-15)23-24-26(17)11-5-6-19(27)22-18-10-7-14(20)13-21-18/h7-10,12-13H,3-6,11H2,1-2H3,(H,21,22,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide?
N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide has a molecular weight of 450.95 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide is sourced from PubChem (CID 53077742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).