3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide

C14H18N8O2S — CID 167927034

IUPAC3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C(C)C)nn2C)ccc1-n1cnnn1
InChIInChI=1S/C14H18N8O2S/c1-9(2)13-16-14(21(4)17-13)18-25(23,24)11-5-6-12(10(3)7-11)22-8-15-19-20-22/h5-9H,1-4H3,(H,16,17,18)
InChIKeyPYSDZQOWIVVWCV-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.02
Rot. Bonds5

About 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide

3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 167927034) has the molecular formula C14H18N8O2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID167927034
Molecular FormulaC14H18N8O2S
Molecular Weight362.42 g/mol
Exact Mass362.13
IUPAC Name3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C(C)C)nn2C)ccc1-n1cnnn1
InChIInChI=1S/C14H18N8O2S/c1-9(2)13-16-14(21(4)17-13)18-25(23,24)11-5-6-12(10(3)7-11)22-8-15-19-20-22/h5-9H,1-4H3,(H,16,17,18)
InChIKeyPYSDZQOWIVVWCV-UHFFFAOYSA-N
XLogP1.02
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35548958
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 51687107
1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 23610585
3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 35548707
N-[4-[[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
CID 5045129
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442053
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442051
N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 49189548
4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 23610235
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide (CID 167927034) is 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nc(C(C)C)nn2C)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is PYSDZQOWIVVWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O2S/c1-9(2)13-16-14(21(4)17-13)18-25(23,24)11-5-6-12(10(3)7-11)22-8-15-19-20-22/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide?
3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 362.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 167927034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).