1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide

C18H20N6O4S2 — CID 24604699

IUPAC1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C18H20N6O4S2/c1-23(2)30(27,28)17-10-8-16(9-11-17)29(25,26)20-14-5-3-4-13(12-14)18-19-21-22-24(18)15-6-7-15/h3-5,8-12,15,20H,6-7H2,1-2H3
InChIKeyWUEVESUFLUKVDJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.73
Rot. Bonds7

About 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide

1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide (PubChem CID 24604699) has the molecular formula C18H20N6O4S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
PubChem CID24604699
Molecular FormulaC18H20N6O4S2
Molecular Weight448.53 g/mol
Exact Mass448.10
IUPAC Name1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C18H20N6O4S2/c1-23(2)30(27,28)17-10-8-16(9-11-17)29(25,26)20-14-5-3-4-13(12-14)18-19-21-22-24(18)15-6-7-15/h3-5,8-12,15,20H,6-7H2,1-2H3
InChIKeyWUEVESUFLUKVDJ-UHFFFAOYSA-N
XLogP1.73
TPSA127.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide with MolForge

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Related Compounds

1-bromo-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092790
2-bromo-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4,6-difluorobenzenesulfonamide
CID 25335046
3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 134027999
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide
CID 24651698
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419462
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 41181462
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
3-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methoxybenzenesulfonamide
CID 36590994

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The IUPAC name of 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide (CID 24604699) is 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1.
What is the InChIKey of 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
The InChIKey is WUEVESUFLUKVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S2/c1-23(2)30(27,28)17-10-8-16(9-11-17)29(25,26)20-14-5-3-4-13(12-14)18-19-21-22-24(18)15-6-7-15/h3-5,8-12,15,20H,6-7H2,1-2H3.
What are the key properties of 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide?
1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide has a molecular weight of 448.53 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide is sourced from PubChem (CID 24604699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).