N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide

C22H26Cl2N4OS2 — CID 164863714

IUPACN-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide
SMILESCCCN(Sc1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)C1CCNCC1
InChIInChI=1S/C22H26Cl2N4OS2/c1-2-13-28(15-9-11-25-12-10-15)30-16-3-5-17(6-4-16)31(29)27-20-8-7-18(23)21-19(24)14-26-22(20)21/h3-8,14-15,25-27H,2,9-13H2,1H3
InChIKeySDYXWOLYVMQQQH-UHFFFAOYSA-N
MW497.52 g/mol
LogP6.08
Rot. Bonds8

About N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide

N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide (PubChem CID 164863714) has the molecular formula C22H26Cl2N4OS2 and a molecular weight of 497.52 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide
PubChem CID164863714
Molecular FormulaC22H26Cl2N4OS2
Molecular Weight497.52 g/mol
Exact Mass496.09
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide
SMILESCCCN(Sc1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)C1CCNCC1
InChIInChI=1S/C22H26Cl2N4OS2/c1-2-13-28(15-9-11-25-12-10-15)30-16-3-5-17(6-4-16)31(29)27-20-8-7-18(23)21-19(24)14-26-22(20)21/h3-8,14-15,25-27H,2,9-13H2,1H3
InChIKeySDYXWOLYVMQQQH-UHFFFAOYSA-N
XLogP6.08
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3,4-dichloro-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfinamide
CID 164863730
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-(1-formylpiperidin-4-yl)sulfinylbenzenesulfinamide
CID 167242226
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
N-(3,4-dichloro-1H-indol-7-yl)-4-[3-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]oxetan-3-yl]benzenesulfinamide
CID 167241760
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide
CID 164863611
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
3,4-dichloro-N-[4-(3-methylbutoxy)phenyl]sulfanyl-1H-indol-7-amine
CID 164877569
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide (CID 164863714) is N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide is CCCN(Sc1ccc(S(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23)cc1)C1CCNCC1.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide?
The InChIKey is SDYXWOLYVMQQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4OS2/c1-2-13-28(15-9-11-25-12-10-15)30-16-3-5-17(6-4-16)31(29)27-20-8-7-18(23)21-19(24)14-26-22(20)21/h3-8,14-15,25-27H,2,9-13H2,1H3.
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide?
N-(3,4-dichloro-1H-indol-7-yl)-4-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide has a molecular weight of 497.52 g/mol, XLogP of 6.08, 8 rotatable bonds, 3 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-[piperidin-4-yl(propyl)amino]sulfanylbenzenesulfinamide is sourced from PubChem (CID 164863714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).