N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide

C20H23ClN6O3S — CID 42630773

IUPACN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C20H23ClN6O3S/c1-3-11-27(12-4-2)31(29,30)16-8-5-14(6-9-16)20(28)22-18-10-7-15(21)13-17(18)19-23-25-26-24-19/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,28)(H,23,24,25,26)
InChIKeyFSAZNJSDFDBGRJ-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.58
Rot. Bonds9

About N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide (PubChem CID 42630773) has the molecular formula C20H23ClN6O3S and a molecular weight of 462.96 g/mol. Its IUPAC name is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
PubChem CID42630773
Molecular FormulaC20H23ClN6O3S
Molecular Weight462.96 g/mol
Exact Mass462.12
IUPAC NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C20H23ClN6O3S/c1-3-11-27(12-4-2)31(29,30)16-8-5-14(6-9-16)20(28)22-18-10-7-15(21)13-17(18)19-23-25-26-24-19/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,28)(H,23,24,25,26)
InChIKeyFSAZNJSDFDBGRJ-UHFFFAOYSA-N
XLogP3.58
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 43976959
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide
CID 67552374
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977026
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide
CID 69381656
N-[2-[2-[(2,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-4-(dipropylsulfamoyl)benzamide
CID 45133606
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-pentylindole-2-carboxamide
CID 67551620
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-5-(diethylsulfamoyl)-1,2-benzoxazole-3-carboxamide
CID 67551649
4-(dipropylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 132575418
4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 3518335

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide (CID 42630773) is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is FSAZNJSDFDBGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O3S/c1-3-11-27(12-4-2)31(29,30)16-8-5-14(6-9-16)20(28)22-18-10-7-15(21)13-17(18)19-23-25-26-24-19/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,28)(H,23,24,25,26).
What are the key properties of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide?
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 462.96 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 42630773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).