N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide

C17H17Cl2N3O3S2 — CID 167241781

IUPACN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C17H17Cl2N3O3S2/c1-2-9-27(24,25)22-11-3-5-12(6-4-11)26(23)21-15-8-7-13(18)16-14(19)10-20-17(15)16/h3-8,10,20-22H,2,9H2,1H3
InChIKeyIQNPECQZMZYXFI-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.76
Rot. Bonds7

About N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide

N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide (PubChem CID 167241781) has the molecular formula C17H17Cl2N3O3S2 and a molecular weight of 446.38 g/mol. Its IUPAC name is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide
PubChem CID167241781
Molecular FormulaC17H17Cl2N3O3S2
Molecular Weight446.38 g/mol
Exact Mass445.01
IUPAC NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C17H17Cl2N3O3S2/c1-2-9-27(24,25)22-11-3-5-12(6-4-11)26(23)21-15-8-7-13(18)16-14(19)10-20-17(15)16/h3-8,10,20-22H,2,9H2,1H3
InChIKeyIQNPECQZMZYXFI-UHFFFAOYSA-N
XLogP4.76
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide
CID 164863604
N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide
CID 164863714
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-formylpiperidin-4-yl)sulfinylbenzenesulfinamide
CID 167242226
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]phenyl]-N-propylacetamide
CID 164863909
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
CID 112989699
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
N-[4-(dipropylamino)phenyl]propane-1-sulfonamide
CID 112985658
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide (CID 167241781) is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1.
What is the InChIKey of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide?
The InChIKey is IQNPECQZMZYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S2/c1-2-9-27(24,25)22-11-3-5-12(6-4-11)26(23)21-15-8-7-13(18)16-14(19)10-20-17(15)16/h3-8,10,20-22H,2,9H2,1H3.
What are the key properties of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide?
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide has a molecular weight of 446.38 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 167241781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).