N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

C22H27N5O3S — CID 653092

IUPACN-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CCCCC2)ccc1-n1cnnn1
InChIInChI=1S/C22H27N5O3S/c1-17-8-10-18(11-9-17)15-27(19-6-4-3-5-7-19)31(28,29)20-12-13-21(22(14-20)30-2)26-16-23-24-25-26/h8-14,16,19H,3-7,15H2,1-2H3
InChIKeyGUNXZYLJXVABBR-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.50
Rot. Bonds7

About N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 653092) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID653092
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CCCCC2)ccc1-n1cnnn1
InChIInChI=1S/C22H27N5O3S/c1-17-8-10-18(11-9-17)15-27(19-6-4-3-5-7-19)31(28,29)20-12-13-21(22(14-20)30-2)26-16-23-24-25-26/h8-14,16,19H,3-7,15H2,1-2H3
InChIKeyGUNXZYLJXVABBR-UHFFFAOYSA-N
XLogP3.50
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 653092) is N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is COc1cc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CCCCC2)ccc1-n1cnnn1.
What is the InChIKey of N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is GUNXZYLJXVABBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-17-8-10-18(11-9-17)15-27(19-6-4-3-5-7-19)31(28,29)20-12-13-21(22(14-20)30-2)26-16-23-24-25-26/h8-14,16,19H,3-7,15H2,1-2H3.
What are the key properties of N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 441.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 653092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).