3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide

C17H19N5O2S — CID 1442053

IUPAC3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C17H19N5O2S/c1-13-4-3-5-15(10-13)8-9-19-25(23,24)16-6-7-17(14(2)11-16)22-12-18-20-21-22/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyMOWIWBKNYGGIKS-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.80
Rot. Bonds6

About 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide

3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1442053) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1442053
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1
InChIInChI=1S/C17H19N5O2S/c1-13-4-3-5-15(10-13)8-9-19-25(23,24)16-6-7-17(14(2)11-16)22-12-18-20-21-22/h3-7,10-12,19H,8-9H2,1-2H3
InChIKeyMOWIWBKNYGGIKS-UHFFFAOYSA-N
XLogP1.80
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442051
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 3212817
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
N-[2-(3-methylphenyl)ethyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 3184652
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 35548707
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
3,4-dimethyl-N-[2-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090476
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 167927034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 1442053) is 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cccc(CCNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1.
What is the InChIKey of 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is MOWIWBKNYGGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-13-4-3-5-15(10-13)8-9-19-25(23,24)16-6-7-17(14(2)11-16)22-12-18-20-21-22/h3-7,10-12,19H,8-9H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide?
3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1442053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).