N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide

C13H12Cl2N4O3S — CID 155193283

IUPACN-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1cnn(CCO)c1
InChIInChI=1S/C13H12Cl2N4O3S/c14-9-1-2-11(13-12(9)10(15)6-16-13)18-23(21,22)8-5-17-19(7-8)3-4-20/h1-2,5-7,16,18,20H,3-4H2
InChIKeyQJXRGIUEYMYERQ-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.46
Rot. Bonds5

About N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide

N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide (PubChem CID 155193283) has the molecular formula C13H12Cl2N4O3S and a molecular weight of 375.24 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
PubChem CID155193283
Molecular FormulaC13H12Cl2N4O3S
Molecular Weight375.24 g/mol
Exact Mass374.00
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1cnn(CCO)c1
InChIInChI=1S/C13H12Cl2N4O3S/c14-9-1-2-11(13-12(9)10(15)6-16-13)18-23(21,22)8-5-17-19(7-8)3-4-20/h1-2,5-7,16,18,20H,3-4H2
InChIKeyQJXRGIUEYMYERQ-UHFFFAOYSA-N
XLogP2.46
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(1-cyanocyclopropyl)methyl]pyrazole-4-sulfonamide
CID 155193526
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
CID 164863909
methyl N-[2-chloro-4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]carbamate
CID 164863691
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600
N-(4-chloro-3-cyano-1H-indazol-7-yl)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155708783

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide (CID 155193283) is N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(Cl)c2c(Cl)c[nH]c12)c1cnn(CCO)c1.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The InChIKey is QJXRGIUEYMYERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O3S/c14-9-1-2-11(13-12(9)10(15)6-16-13)18-23(21,22)8-5-17-19(7-8)3-4-20/h1-2,5-7,16,18,20H,3-4H2.
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide has a molecular weight of 375.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-1H-indol-7-yl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).