N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H19N5O2S — CID 35548958

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1-n1cnnn1
InChIInChI=1S/C18H19N5O2S/c1-13-10-16(7-9-18(13)23-12-19-21-22-23)20-26(24,25)17-8-6-14-4-2-3-5-15(14)11-17/h6-12,20H,2-5H2,1H3
InChIKeyZYTOXUQLIORZQE-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.65
Rot. Bonds4

About N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 35548958) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID35548958
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1-n1cnnn1
InChIInChI=1S/C18H19N5O2S/c1-13-10-16(7-9-18(13)23-12-19-21-22-23)20-26(24,25)17-8-6-14-4-2-3-5-15(14)11-17/h6-12,20H,2-5H2,1H3
InChIKeyZYTOXUQLIORZQE-UHFFFAOYSA-N
XLogP2.65
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 35548707
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 55873057
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110734864
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
1-acetyl-N-[2-methyl-3-(tetrazol-1-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 25353001
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
3-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 167927034
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7517975
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 35548958) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is ZYTOXUQLIORZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-13-10-16(7-9-18(13)23-12-19-21-22-23)20-26(24,25)17-8-6-14-4-2-3-5-15(14)11-17/h6-12,20H,2-5H2,1H3.
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 35548958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).