3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole

C14H14ClN5O4S2 — CID 67079891

IUPAC3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
SMILESNS(=O)(=O)Nc1ccc(NS(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H14ClN5O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)20-26(23,24)19-10-6-4-9(5-7-10)18-25(16,21)22/h1-8,17-20H,(H2,16,21,22)
InChIKeyDDVWJWXKFDABBJ-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.21
Rot. Bonds6

About 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole

3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole (PubChem CID 67079891) has the molecular formula C14H14ClN5O4S2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole.

Molecular Properties

Compound Name3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
PubChem CID67079891
Molecular FormulaC14H14ClN5O4S2
Molecular Weight415.88 g/mol
Exact Mass415.02
IUPAC Name3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole
SMILESNS(=O)(=O)Nc1ccc(NS(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H14ClN5O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)20-26(23,24)19-10-6-4-9(5-7-10)18-25(16,21)22/h1-8,17-20H,(H2,16,21,22)
InChIKeyDDVWJWXKFDABBJ-UHFFFAOYSA-N
XLogP2.21
TPSA146.18 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}, {'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole?
The IUPAC name of 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole (CID 67079891) is 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole.
What is the SMILES notation for 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole?
The canonical SMILES for 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole is NS(=O)(=O)Nc1ccc(NS(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole?
The InChIKey is DDVWJWXKFDABBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)20-26(23,24)19-10-6-4-9(5-7-10)18-25(16,21)22/h1-8,17-20H,(H2,16,21,22).
What are the key properties of 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole?
3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole has a molecular weight of 415.88 g/mol, XLogP of 2.21, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-[[4-(sulfamoylamino)phenyl]sulfamoylamino]-1H-indole is sourced from PubChem (CID 67079891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).