N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide

C18H14Cl2N4O2S — CID 164863639

IUPACN-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cc2)cn1
InChIInChI=1S/C18H14Cl2N4O2S/c1-24-10-12(8-22-24)11-2-4-13(5-3-11)27(25,26)23-16-7-6-14(19)17-15(20)9-21-18(16)17/h2-10,21,23H,1H3
InChIKeyLSIFGTLINSXZEC-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.68
Rot. Bonds4

About N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide

N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 164863639) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID164863639
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cc2)cn1
InChIInChI=1S/C18H14Cl2N4O2S/c1-24-10-12(8-22-24)11-2-4-13(5-3-11)27(25,26)23-16-7-6-14(19)17-15(20)9-21-18(16)17/h2-10,21,23H,1H3
InChIKeyLSIFGTLINSXZEC-UHFFFAOYSA-N
XLogP4.68
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 164863639) is N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)cc2)cn1.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is LSIFGTLINSXZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2S/c1-24-10-12(8-22-24)11-2-4-13(5-3-11)27(25,26)23-16-7-6-14(19)17-15(20)9-21-18(16)17/h2-10,21,23H,1H3.
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide?
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 421.31 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 164863639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).