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

C24H25N5O4S — CID 1374256

IUPACN,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C24H25N5O4S/c1-18-14-23(12-13-24(18)29-17-25-26-27-29)34(30,31)28(15-19-4-8-21(32-2)9-5-19)16-20-6-10-22(33-3)11-7-20/h4-14,17H,15-16H2,1-3H3
InChIKeyQHWZAVGWRMLZRW-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.38
Rot. Bonds9

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

N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1374256) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1374256
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C24H25N5O4S/c1-18-14-23(12-13-24(18)29-17-25-26-27-29)34(30,31)28(15-19-4-8-21(32-2)9-5-19)16-20-6-10-22(33-3)11-7-20/h4-14,17H,15-16H2,1-3H3
InChIKeyQHWZAVGWRMLZRW-UHFFFAOYSA-N
XLogP3.38
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 1374256) is N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is QHWZAVGWRMLZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-18-14-23(12-13-24(18)29-17-25-26-27-29)34(30,31)28(15-19-4-8-21(32-2)9-5-19)16-20-6-10-22(33-3)11-7-20/h4-14,17H,15-16H2,1-3H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1374256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).