N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide

C19H19ClN2O2S — CID 113085207

IUPACN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H19ClN2O2S/c1-13-4-2-3-5-18(13)25(23,24)22-12-19(8-9-19)16-11-21-17-7-6-14(20)10-15(16)17/h2-7,10-11,21-22H,8-9,12H2,1H3
InChIKeyBZQWBXXVAKMQNU-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.14
Rot. Bonds5

About N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide (PubChem CID 113085207) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
PubChem CID113085207
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H19ClN2O2S/c1-13-4-2-3-5-18(13)25(23,24)22-12-19(8-9-19)16-11-21-17-7-6-14(20)10-15(16)17/h2-7,10-11,21-22H,8-9,12H2,1H3
InChIKeyBZQWBXXVAKMQNU-UHFFFAOYSA-N
XLogP4.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
5-Chloro-N-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-2-naphthalenesulfonamide
CID 6918836
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Tepirindole
CID 68915
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
N-{2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11677372
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825383

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide (CID 113085207) is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is BZQWBXXVAKMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-13-4-2-3-5-18(13)25(23,24)22-12-19(8-9-19)16-11-21-17-7-6-14(20)10-15(16)17/h2-7,10-11,21-22H,8-9,12H2,1H3.
What are the key properties of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide?
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 374.89 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113085207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).