N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide

C14H15N3O3S — CID 91662468

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)C2=Cc3ccccc3OC2)c1C
InChIInChI=1S/C14H15N3O3S/c1-9-10(2)15-16-14(9)17-21(18,19)12-7-11-5-3-4-6-13(11)20-8-12/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyOMDNDUSMKNWZQH-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.20
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide (PubChem CID 91662468) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide
PubChem CID91662468
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)C2=Cc3ccccc3OC2)c1C
InChIInChI=1S/C14H15N3O3S/c1-9-10(2)15-16-14(9)17-21(18,19)12-7-11-5-3-4-6-13(11)20-8-12/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKeyOMDNDUSMKNWZQH-UHFFFAOYSA-N
XLogP2.20
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide (CID 91662468) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide is Cc1[nH]nc(NS(=O)(=O)C2=Cc3ccccc3OC2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide?
The InChIKey is OMDNDUSMKNWZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-10(2)15-16-14(9)17-21(18,19)12-7-11-5-3-4-6-13(11)20-8-12/h3-7H,8H2,1-2H3,(H2,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2H-chromene-3-sulfonamide is sourced from PubChem (CID 91662468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).