2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide

C15H15ClN2OS — CID 107033296

IUPAC2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
SMILESCN(C)c1cccc(NC(=O)c2cc(S)ccc2Cl)c1
InChIInChI=1S/C15H15ClN2OS/c1-18(2)11-5-3-4-10(8-11)17-15(19)13-9-12(20)6-7-14(13)16/h3-9,20H,1-2H3,(H,17,19)
InChIKeyFKZKRMJDYGETDH-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.95
Rot. Bonds3

About 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide

2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide (PubChem CID 107033296) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
PubChem CID107033296
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
SMILESCN(C)c1cccc(NC(=O)c2cc(S)ccc2Cl)c1
InChIInChI=1S/C15H15ClN2OS/c1-18(2)11-5-3-4-10(8-11)17-15(19)13-9-12(20)6-7-14(13)16/h3-9,20H,1-2H3,(H,17,19)
InChIKeyFKZKRMJDYGETDH-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115377777
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide
CID 115379438
2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
CID 44561878
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
N-[3-[acetyl(methyl)amino]phenyl]-2-chlorobenzamide
CID 46761791
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide (CID 107033296) is 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide is CN(C)c1cccc(NC(=O)c2cc(S)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide?
The InChIKey is FKZKRMJDYGETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-18(2)11-5-3-4-10(8-11)17-15(19)13-9-12(20)6-7-14(13)16/h3-9,20H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide?
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide has a molecular weight of 306.82 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107033296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).