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

C21H25Cl2N5O3S2 — CID 164863604

IUPACN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCN(c1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C21H25Cl2N5O3S2/c1-2-11-28(33(30,31)27-12-9-24-10-13-27)15-3-5-16(6-4-15)32(29)26-19-8-7-17(22)20-18(23)14-25-21(19)20/h3-8,14,24-26H,2,9-13H2,1H3
InChIKeyWSWSEGXALFJEPT-UHFFFAOYSA-N
MW530.50 g/mol
LogP3.98
Rot. Bonds8

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

N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide (PubChem CID 164863604) has the molecular formula C21H25Cl2N5O3S2 and a molecular weight of 530.50 g/mol. Its IUPAC name is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide
PubChem CID164863604
Molecular FormulaC21H25Cl2N5O3S2
Molecular Weight530.50 g/mol
Exact Mass529.08
IUPAC NameN-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCN(c1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C21H25Cl2N5O3S2/c1-2-11-28(33(30,31)27-12-9-24-10-13-27)15-3-5-16(6-4-15)32(29)26-19-8-7-17(22)20-18(23)14-25-21(19)20/h3-8,14,24-26H,2,9-13H2,1H3
InChIKeyWSWSEGXALFJEPT-UHFFFAOYSA-N
XLogP3.98
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide?
The IUPAC name of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide (CID 164863604) is N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide is CCCN(c1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide?
The InChIKey is WSWSEGXALFJEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O3S2/c1-2-11-28(33(30,31)27-12-9-24-10-13-27)15-3-5-16(6-4-15)32(29)26-19-8-7-17(22)20-18(23)14-25-21(19)20/h3-8,14,24-26H,2,9-13H2,1H3.
What are the key properties of N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide?
N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide has a molecular weight of 530.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichloro-1H-indol-7-yl)sulfinamoyl]phenyl]-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 164863604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).