4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide

C20H23ClN4O4S2 — CID 164863611

IUPAC4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CCNCC3)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C20H23ClN4O4S2/c1-13-2-7-18(20-19(13)17(21)12-23-20)25-31(28,29)16-5-3-15(4-6-16)30(26,27)24-14-8-10-22-11-9-14/h2-7,12,14,22-25H,8-11H2,1H3
InChIKeyUVIZGUKZEBXVDZ-UHFFFAOYSA-N
MW483.02 g/mol
LogP2.96
Rot. Bonds6

About 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide

4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide (PubChem CID 164863611) has the molecular formula C20H23ClN4O4S2 and a molecular weight of 483.02 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide
PubChem CID164863611
Molecular FormulaC20H23ClN4O4S2
Molecular Weight483.02 g/mol
Exact Mass482.08
IUPAC Name4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CCNCC3)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C20H23ClN4O4S2/c1-13-2-7-18(20-19(13)17(21)12-23-20)25-31(28,29)16-5-3-15(4-6-16)30(26,27)24-14-8-10-22-11-9-14/h2-7,12,14,22-25H,8-11H2,1H3
InChIKeyUVIZGUKZEBXVDZ-UHFFFAOYSA-N
XLogP2.96
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.02
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide with MolForge

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Related Compounds

4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
N-(3-chloro-4-methyl-1H-indol-7-yl)-2-methyl-1,3-thiazole-4-sulfonamide
CID 172572464
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-(4-aminocyclohexyl)oxy-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164877468
N-[2-methyl-5-(piperidin-4-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119960595
N-(3-ethynyl-4-methyl-1H-indol-7-yl)-4-propan-2-ylbenzenesulfonamide
CID 157165213
1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120874426
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide
CID 122571957
N-(3,4-dichloro-1H-indol-7-yl)-4-piperidin-1-ylsulfinylbenzenesulfonamide
CID 164863600

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide (CID 164863611) is 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CCNCC3)cc2)c2[nH]cc(Cl)c12.
What is the InChIKey of 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide?
The InChIKey is UVIZGUKZEBXVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4S2/c1-13-2-7-18(20-19(13)17(21)12-23-20)25-31(28,29)16-5-3-15(4-6-16)30(26,27)24-14-8-10-22-11-9-14/h2-7,12,14,22-25H,8-11H2,1H3.
What are the key properties of 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide?
4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide has a molecular weight of 483.02 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methyl-1H-indol-7-yl)-1-N-piperidin-4-ylbenzene-1,4-disulfonamide is sourced from PubChem (CID 164863611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).