5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide

C11H13ClN2O4S — CID 174478335

IUPAC5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide
SMILESCN(C)C=O.O=S(=O)(O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C8H6ClNO3S.C3H7NO/c9-6-1-2-7-5(3-6)4-8(10-7)14(11,12)13;1-4(2)3-5/h1-4,10H,(H,11,12,13);3H,1-2H3
InChIKeyLUHDPZWOOIJIQI-UHFFFAOYSA-N
MW304.76 g/mol
LogP1.77
Rot. Bonds2

About 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide

5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide (PubChem CID 174478335) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.76 g/mol. Its IUPAC name is 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide.

Molecular Properties

Compound Name5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide
PubChem CID174478335
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.76 g/mol
Exact Mass304.03
IUPAC Name5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide
SMILESCN(C)C=O.O=S(=O)(O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C8H6ClNO3S.C3H7NO/c9-6-1-2-7-5(3-6)4-8(10-7)14(11,12)13;1-4(2)3-5/h1-4,10H,(H,11,12,13);3H,1-2H3
InChIKeyLUHDPZWOOIJIQI-UHFFFAOYSA-N
XLogP1.77
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;5-chloro-1H-indole-2-sulfonyl chloride
CID 174460600
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CID 143173847
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349
5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694477
5-chloro-1H-indole-2-carboxylate
CID 6933350
N-[(5-chloro-1H-indole-2-carbonyl)amino]-N'-(2-fluorophenyl)methanimidamide;methanesulfonic acid
CID 87986666
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
1-(5-chloro-1H-indol-2-yl)heptan-1-one
CID 66777278
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-[5-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]methanone
CID 22710388
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)methanone
CID 139898155
5-chloro-1-benzofuran-2-sulfonic acid
CID 174798202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide?
The IUPAC name of 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide (CID 174478335) is 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide.
What is the SMILES notation for 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide?
The canonical SMILES for 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide is CN(C)C=O.O=S(=O)(O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide?
The InChIKey is LUHDPZWOOIJIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3S.C3H7NO/c9-6-1-2-7-5(3-6)4-8(10-7)14(11,12)13;1-4(2)3-5/h1-4,10H,(H,11,12,13);3H,1-2H3.
What are the key properties of 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide?
5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide has a molecular weight of 304.76 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indole-2-sulfonic acid;N,N-dimethylformamide is sourced from PubChem (CID 174478335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).