5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide

C13H12ClN3O2S2 — CID 64852859

IUPAC5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCc3ccc(Cl)s3)c2c1
InChIInChI=1S/C13H12ClN3O2S2/c14-13-4-2-9(20-13)6-17-21(18,19)12-7-16-11-3-1-8(15)5-10(11)12/h1-5,7,16-17H,6,15H2
InChIKeyRQZFYQOTQJWDFN-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.94
Rot. Bonds4

About 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide

5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide (PubChem CID 64852859) has the molecular formula C13H12ClN3O2S2 and a molecular weight of 341.85 g/mol. Its IUPAC name is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
PubChem CID64852859
Molecular FormulaC13H12ClN3O2S2
Molecular Weight341.85 g/mol
Exact Mass341.01
IUPAC Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide
SMILESNc1ccc2[nH]cc(S(=O)(=O)NCc3ccc(Cl)s3)c2c1
InChIInChI=1S/C13H12ClN3O2S2/c14-13-4-2-9(20-13)6-17-21(18,19)12-7-16-11-3-1-8(15)5-10(11)12/h1-5,7,16-17H,6,15H2
InChIKeyRQZFYQOTQJWDFN-UHFFFAOYSA-N
XLogP2.94
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
5-[(5-amino-1H-indol-3-yl)sulfonylamino]pentanamide
CID 106233539
5-amino-N-(2-ethoxyethyl)-1H-indole-3-sulfonamide
CID 64852259
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-cyclopropylacetamide
CID 64850895
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-propylacetamide
CID 64850893
5-amino-N-(oxan-2-ylmethyl)-1H-indole-3-sulfonamide
CID 64852852
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
5-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-indole-3-sulfonamide
CID 106242702
5-amino-N-(2-prop-2-enylsulfanylethyl)-1H-indole-3-sulfonamide
CID 106425405

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide (CID 64852859) is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide is Nc1ccc2[nH]cc(S(=O)(=O)NCc3ccc(Cl)s3)c2c1.
What is the InChIKey of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide?
The InChIKey is RQZFYQOTQJWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S2/c14-13-4-2-9(20-13)6-17-21(18,19)12-7-16-11-3-1-8(15)5-10(11)12/h1-5,7,16-17H,6,15H2.
What are the key properties of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide?
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide has a molecular weight of 341.85 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 64852859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).