N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

C15H19N5O2S — CID 1442048

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1-n1cnnn1
InChIInChI=1S/C15H19N5O2S/c1-10-6-13(4-5-15(10)20-9-16-18-19-20)23(21,22)17-14-8-11-2-3-12(14)7-11/h4-6,9,11-12,14,17H,2-3,7-8H2,1H3/t11-,12+,14+/m0/s1
InChIKeyXUWOEJBGWJFZQK-OUCADQQQSA-N
MW333.42 g/mol
LogP1.44
Rot. Bonds4

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1442048) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1442048
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1-n1cnnn1
InChIInChI=1S/C15H19N5O2S/c1-10-6-13(4-5-15(10)20-9-16-18-19-20)23(21,22)17-14-8-11-2-3-12(14)7-11/h4-6,9,11-12,14,17H,2-3,7-8H2,1H3/t11-,12+,14+/m0/s1
InChIKeyXUWOEJBGWJFZQK-OUCADQQQSA-N
XLogP1.44
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide with MolForge

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Related Compounds

1-(3-Methyl-4-tetrazol-1-yl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 24792555
1-[3-Methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine
CID 4285769
N-Benzyl-N-(4-dimethylamino-benzyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 650476
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177024
1-Benzyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442100
N-(2,2-Diphenyl-ethyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 3202148
3-Methyl-N-(4-methyl-benzyl)-4-tetrazol-1-yl-benzenesulfonamide
CID 858103
N-Phenethyl-4-tetrazol-1-yl-benzenesulfonamide
CID 24793339
N-Cyclopentyl-4-tetrazol-1-yl-benzenesulfonamide
CID 861385
N-Cyclopentyl-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 1442057
N-cyclohexyl-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442068
N-[(4-Fluorophenyl)methyl]-4-(1H-1,2,3,4-tetrazol-1-YL)benzene-1-sulfonamide
CID 23607719

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 1442048) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1-n1cnnn1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is XUWOEJBGWJFZQK-OUCADQQQSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-6-13(4-5-15(10)20-9-16-18-19-20)23(21,22)17-14-8-11-2-3-12(14)7-11/h4-6,9,11-12,14,17H,2-3,7-8H2,1H3/t11-,12+,14+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 333.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1442048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).