N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide

C18H21N5O3S — CID 1204212

IUPACN-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21N5O3S/c1-5-23-18(19-21-22-23)14-7-9-16(26-4)17(11-14)27(24,25)20-15-8-6-12(2)13(3)10-15/h6-11,20H,5H2,1-4H3
InChIKeyMSLHBYZBEOEIFP-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.79
Rot. Bonds6

About N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide

N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 1204212) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID1204212
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21N5O3S/c1-5-23-18(19-21-22-23)14-7-9-16(26-4)17(11-14)27(24,25)20-15-8-6-12(2)13(3)10-15/h6-11,20H,5H2,1-4H3
InChIKeyMSLHBYZBEOEIFP-UHFFFAOYSA-N
XLogP2.79
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-((5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenyl)sulfonyl)piperidine
CID 658999
Ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate
CID 660389
2-methoxy-N-(4-methoxyphenyl)-5-(1-methyl-1H-tetraazol-5-yl)benzenesulfonamide
CID 1204214
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1204217
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 1236748
N-benzyl-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1547171
Butyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate
CID 1907373
2-methoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide
CID 2118853
5-(1-isopropyl-1H-tetrazol-5-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 1536257
N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1316538
2-methoxy-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide
CID 2465224
N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 658808

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide (CID 1204212) is N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is MSLHBYZBEOEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-5-23-18(19-21-22-23)14-7-9-16(26-4)17(11-14)27(24,25)20-15-8-6-12(2)13(3)10-15/h6-11,20H,5H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide?
N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 1204212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).