4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide

C18H21N5O3S — CID 137499872

IUPAC4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-2-14-3-5-15(6-4-14)13-23-21-18(20-22-23)16-7-9-17(10-8-16)27(25,26)19-11-12-24/h3-10,19,24H,2,11-13H2,1H3
InChIKeyXPDNACJKGFPKQB-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.22
Rot. Bonds8

About 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide

4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 137499872) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID137499872
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-2-14-3-5-15(6-4-14)13-23-21-18(20-22-23)16-7-9-17(10-8-16)27(25,26)19-11-12-24/h3-10,19,24H,2,11-13H2,1H3
InChIKeyXPDNACJKGFPKQB-UHFFFAOYSA-N
XLogP1.22
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[4-[2-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetate
CID 137499982
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574101
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
1-[[4-(2-ethyltetrazol-5-yl)phenyl]methyl]piperidin-4-one
CID 134093211
4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
CID 90392756
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499940
cyanomethyl N-[4-[2-[(6-methoxy-3-pyridinyl)methyl]tetrazol-5-yl]phenyl]sulfonylcarbamate
CID 137499964

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 137499872) is 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is CCc1ccc(Cn2nnc(-c3ccc(S(=O)(=O)NCCO)cc3)n2)cc1.
What is the InChIKey of 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is XPDNACJKGFPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-2-14-3-5-15(6-4-14)13-23-21-18(20-22-23)16-7-9-17(10-8-16)27(25,26)19-11-12-24/h3-10,19,24H,2,11-13H2,1H3.
What are the key properties of 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethylphenyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 137499872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).