N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide

C12H15ClN2O4S — CID 49014229

IUPACN-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-20(17,18)14-11-8-9(2-3-10(11)13)12(16)15-4-6-19-7-5-15/h2-3,8,14H,4-7H2,1H3
InChIKeyGFBWIDMMDXNBOE-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.18
Rot. Bonds3

About N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide

N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide (PubChem CID 49014229) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
PubChem CID49014229
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC NameN-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O4S/c1-20(17,18)14-11-8-9(2-3-10(11)13)12(16)15-4-6-19-7-5-15/h2-3,8,14H,4-7H2,1H3
InChIKeyGFBWIDMMDXNBOE-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 72863358
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
N-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 99956126
N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 94881292
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 49024323
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 54860175
N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
CID 23592519
N-(2,5-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30262278

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide (CID 49014229) is N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The InChIKey is GFBWIDMMDXNBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c1-20(17,18)14-11-8-9(2-3-10(11)13)12(16)15-4-6-19-7-5-15/h2-3,8,14H,4-7H2,1H3.
What are the key properties of N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide has a molecular weight of 318.78 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 49014229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).