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

C20H23N5O3S — CID 647199

IUPACN-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C20H23N5O3S/c1-28-19-10-6-16(7-11-19)14-25(18-4-2-3-5-18)29(26,27)20-12-8-17(9-13-20)24-15-21-22-23-24/h6-13,15,18H,2-5,14H2,1H3
InChIKeySVCDROLYFGHACU-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.80
Rot. Bonds7

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

N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 647199) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID647199
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C20H23N5O3S/c1-28-19-10-6-16(7-11-19)14-25(18-4-2-3-5-18)29(26,27)20-12-8-17(9-13-20)24-15-21-22-23-24/h6-13,15,18H,2-5,14H2,1H3
InChIKeySVCDROLYFGHACU-UHFFFAOYSA-N
XLogP2.80
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 647199) is N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is SVCDROLYFGHACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-28-19-10-6-16(7-11-19)14-25(18-4-2-3-5-18)29(26,27)20-12-8-17(9-13-20)24-15-21-22-23-24/h6-13,15,18H,2-5,14H2,1H3.
What are the key properties of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 647199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).