N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

C21H25N5O4S — CID 654569

IUPACN-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C21H25N5O4S/c1-29-20-12-7-16(13-21(20)30-2)14-26(18-5-3-4-6-18)31(27,28)19-10-8-17(9-11-19)25-15-22-23-24-25/h7-13,15,18H,3-6,14H2,1-2H3
InChIKeyURJKUCXXOIRRKM-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.81
Rot. Bonds8

About N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 654569) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID654569
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC NameN-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C21H25N5O4S/c1-29-20-12-7-16(13-21(20)30-2)14-26(18-5-3-4-6-18)31(27,28)19-10-8-17(9-11-19)25-15-22-23-24-25/h7-13,15,18H,3-6,14H2,1-2H3
InChIKeyURJKUCXXOIRRKM-UHFFFAOYSA-N
XLogP2.81
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 655597
N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 650971
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195562
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854839
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 46300366
methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
CID 26540361
4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide
CID 67370252
N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 1451970
N-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1452015
N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154753

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 654569) is N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC.
What is the InChIKey of N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is URJKUCXXOIRRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-29-20-12-7-16(13-21(20)30-2)14-26(18-5-3-4-6-18)31(27,28)19-10-8-17(9-11-19)25-15-22-23-24-25/h7-13,15,18H,3-6,14H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 654569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).