N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

C16H17N5O3S — CID 1442090

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C16H17N5O3S/c1-12-9-15(7-8-16(12)21-11-17-19-20-21)25(22,23)18-10-13-3-5-14(24-2)6-4-13/h3-9,11,18H,10H2,1-2H3
InChIKeyVHVKFCHSKITBER-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.46
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1442090) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1442090
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C16H17N5O3S/c1-12-9-15(7-8-16(12)21-11-17-19-20-21)25(22,23)18-10-13-3-5-14(24-2)6-4-13/h3-9,11,18H,10H2,1-2H3
InChIKeyVHVKFCHSKITBER-UHFFFAOYSA-N
XLogP1.46
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 1442090) is N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is VHVKFCHSKITBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-12-9-15(7-8-16(12)21-11-17-19-20-21)25(22,23)18-10-13-3-5-14(24-2)6-4-13/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1442090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).