4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde

C17H18ClN3O3S — CID 6604540

IUPAC4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde
SMILESC=O.C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)=O)c1
InChIInChI=1S/C16H16ClN3O2S.CH2O/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)23(18)22;1-2/h2-7,9-10H,8,18H2,1H3,(H,19,21);1H2/t10-,23?;/m1./s1
InChIKeyNAXRFGDINCMOJF-PQQCPOCVSA-N
MW379.87 g/mol
LogP2.23
Rot. Bonds3

About 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde

4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde (PubChem CID 6604540) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde
PubChem CID6604540
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde
SMILESC=O.C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)=O)c1
InChIInChI=1S/C16H16ClN3O2S.CH2O/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)23(18)22;1-2/h2-7,9-10H,8,18H2,1H3,(H,19,21);1H2/t10-,23?;/m1./s1
InChIKeyNAXRFGDINCMOJF-PQQCPOCVSA-N
XLogP2.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Indapamide
CID 3702
Zidapamide
CID 3033626
2-Chloro-5-[2-(2,3-dihydroindol-1-yl)acetyl]benzenesulfonamide
CID 126509556
Indapamide, (S)-
CID 12598931
2-chloro-5-(2,3-dihydroindole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 2331668
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2095574
Indapamide, (R)-
CID 12598930
3-(Aminosulfonyl)-4-chlorobenzoic acid 2-methyl-2-phenylhydrazide
CID 135086
2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 1289464
1-[4-[4-Chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperazin-1-yl]ethanone
CID 2469205
1-[4-Chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-4-carboxamide
CID 2474738
1-[4-Chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 16229454

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde?
The IUPAC name of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde (CID 6604540) is 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde.
What is the SMILES notation for 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde?
The canonical SMILES for 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde is C=O.C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)=O)c1.
What is the InChIKey of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde?
The InChIKey is NAXRFGDINCMOJF-PQQCPOCVSA-N. The full InChI is InChI=1S/C16H16ClN3O2S.CH2O/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)23(18)22;1-2/h2-7,9-10H,8,18H2,1H3,(H,19,21);1H2/t10-,23?;/m1./s1.
What are the key properties of 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde?
4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde has a molecular weight of 379.87 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-sulfinamoylbenzamide;formaldehyde is sourced from PubChem (CID 6604540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).