5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide

C14H14Cl2N4O3S — CID 167953110

IUPAC5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide
SMILESCOCc1nn(C)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C14H14Cl2N4O3S/c1-20-6-12(13(18-20)7-23-2)19-24(21,22)14-5-17-11-4-10(16)9(15)3-8(11)14/h3-6,17,19H,7H2,1-2H3
InChIKeyNRHHKVPSBWWOAS-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.16
Rot. Bonds5

About 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide

5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide (PubChem CID 167953110) has the molecular formula C14H14Cl2N4O3S and a molecular weight of 389.26 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide
PubChem CID167953110
Molecular FormulaC14H14Cl2N4O3S
Molecular Weight389.26 g/mol
Exact Mass388.02
IUPAC Name5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide
SMILESCOCc1nn(C)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)c(Cl)cc12
InChIInChI=1S/C14H14Cl2N4O3S/c1-20-6-12(13(18-20)7-23-2)19-24(21,22)14-5-17-11-4-10(16)9(15)3-8(11)14/h3-6,17,19H,7H2,1-2H3
InChIKeyNRHHKVPSBWWOAS-UHFFFAOYSA-N
XLogP3.16
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 167920553
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 107464615
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
CID 107462605
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide (CID 167953110) is 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide is COCc1nn(C)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)c(Cl)cc12.
What is the InChIKey of 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide?
The InChIKey is NRHHKVPSBWWOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3S/c1-20-6-12(13(18-20)7-23-2)19-24(21,22)14-5-17-11-4-10(16)9(15)3-8(11)14/h3-6,17,19H,7H2,1-2H3.
What are the key properties of 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide?
5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide has a molecular weight of 389.26 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 167953110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).