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

C15H19N5O3S — CID 1428984

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1-n1cnnn1
InChIInChI=1S/C15H19N5O3S/c1-23-15-8-12(4-5-14(15)20-9-16-18-19-20)24(21,22)17-13-7-10-2-3-11(13)6-10/h4-5,8-11,13,17H,2-3,6-7H2,1H3/t10-,11+,13+/m0/s1
InChIKeyIGIZTDSUDVQJGX-DMDPSCGWSA-N
MW349.42 g/mol
LogP1.14
Rot. Bonds5

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

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1428984) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1428984
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1-n1cnnn1
InChIInChI=1S/C15H19N5O3S/c1-23-15-8-12(4-5-14(15)20-9-16-18-19-20)24(21,22)17-13-7-10-2-3-11(13)6-10/h4-5,8-11,13,17H,2-3,6-7H2,1H3/t10-,11+,13+/m0/s1
InChIKeyIGIZTDSUDVQJGX-DMDPSCGWSA-N
XLogP1.14
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
3-methoxy-N-propyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 3212817
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 6553841
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-iodo-4-methoxybenzenesulfonamide
CID 7480344
2-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 654021
1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylazepane
CID 858983
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 124832613
5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
CID 98054835
3-(azepane-1-carbonyl)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxybenzenesulfonamide
CID 7450128
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (CID 1428984) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is COc1cc(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-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is IGIZTDSUDVQJGX-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-23-15-8-12(4-5-14(15)20-9-16-18-19-20)24(21,22)17-13-7-10-2-3-11(13)6-10/h4-5,8-11,13,17H,2-3,6-7H2,1H3/t10-,11+,13+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1428984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).