N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

C15H15N5O3S — CID 648104

IUPACN-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C15H15N5O3S/c1-11-3-6-13(7-4-11)24(21,22)17-12-5-8-14(15(9-12)23-2)20-10-16-18-19-20/h3-10,17H,1-2H3
InChIKeyURKBRUPLDDSAEU-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.78
Rot. Bonds5

About N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide

N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 648104) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID648104
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C15H15N5O3S/c1-11-3-6-13(7-4-11)24(21,22)17-12-5-8-14(15(9-12)23-2)20-10-16-18-19-20/h3-10,17H,1-2H3
InChIKeyURKBRUPLDDSAEU-UHFFFAOYSA-N
XLogP1.78
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 3212817
CID 3212817
CID 778173
CID 778173
CID 650336
CID 650336
CID 653907
CID 653907
CID 1442090
CID 1442090
CID 3191968
CID 3191968
CID 24792330
CID 24792330
CID 24792437
CID 24792437
CID 1504723
CID 1504723
CID 16282498
CID 16282498
CID 653092
CID 653092
CID 1428872
CID 1428872

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 648104) is N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is URKBRUPLDDSAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-11-3-6-13(7-4-11)24(21,22)17-12-5-8-14(15(9-12)23-2)20-10-16-18-19-20/h3-10,17H,1-2H3.
What are the key properties of N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(tetrazol-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 648104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).