N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide

C14H14N4O2S — CID 103885404

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H14N4O2S/c1-10(14-15-9-16-17-14)18-21(19,20)13-8-4-6-11-5-2-3-7-12(11)13/h2-10,18H,1H3,(H,15,16,17)
InChIKeyJAQSJXKPWHQSAO-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 103885404) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID103885404
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
SMILESCC(NS(=O)(=O)c1cccc2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H14N4O2S/c1-10(14-15-9-16-17-14)18-21(19,20)13-8-4-6-11-5-2-3-7-12(11)13/h2-10,18H,1H3,(H,15,16,17)
InChIKeyJAQSJXKPWHQSAO-UHFFFAOYSA-N
XLogP2.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281114
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
4-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283457
5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281132
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
2,4-dichloro-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103270127
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283511
2,5-dibromo-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943221
2,5-dimethoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943250
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide (CID 103885404) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide is CC(NS(=O)(=O)c1cccc2ccccc12)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is JAQSJXKPWHQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10(14-15-9-16-17-14)18-21(19,20)13-8-4-6-11-5-2-3-7-12(11)13/h2-10,18H,1H3,(H,15,16,17).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 103885404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).