4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide

C15H14ClN3O4S2 — CID 10573033

IUPAC4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C15H14ClN3O4S2/c1-17-24(20,21)10-5-7-11(8-6-10)25(22,23)19-14-4-2-3-12-13(16)9-18-15(12)14/h2-9,17-19H,1H3
InChIKeyQNWHSHHVNKXPPF-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.53
Rot. Bonds5

About 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide

4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide (PubChem CID 10573033) has the molecular formula C15H14ClN3O4S2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide
PubChem CID10573033
Molecular FormulaC15H14ClN3O4S2
Molecular Weight399.88 g/mol
Exact Mass399.01
IUPAC Name4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C15H14ClN3O4S2/c1-17-24(20,21)10-5-7-11(8-6-10)25(22,23)19-14-4-2-3-12-13(16)9-18-15(12)14/h2-9,17-19H,1H3
InChIKeyQNWHSHHVNKXPPF-UHFFFAOYSA-N
XLogP2.53
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Indisulam
CID 216468
n-(1h-Indol-7-yl)methanesulfonamide
CID 20231824
3-(3-chlorophenyl)sulfonyl-7-piperazin-1-yl-1H-indole
CID 10134086
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
CID 56944956
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 66800947
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 66803474
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
Substituted phenylsulfonyltryptamine, 11f
CID 23655462
2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11200511
3-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11384146
3-chloro-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11463428
1-(2-Chloro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389003

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide (CID 10573033) is 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide?
The InChIKey is QNWHSHHVNKXPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S2/c1-17-24(20,21)10-5-7-11(8-6-10)25(22,23)19-14-4-2-3-12-13(16)9-18-15(12)14/h2-9,17-19H,1H3.
What are the key properties of 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide?
4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide has a molecular weight of 399.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-1H-indol-7-yl)-1-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 10573033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).